BRPI0918970A2 - algoritmo para projeto de inibidores irreversíveis - Google Patents
algoritmo para projeto de inibidores irreversíveisInfo
- Publication number
- BRPI0918970A2 BRPI0918970A2 BRPI0918970A BRPI0918970A BRPI0918970A2 BR PI0918970 A2 BRPI0918970 A2 BR PI0918970A2 BR PI0918970 A BRPI0918970 A BR PI0918970A BR PI0918970 A BRPI0918970 A BR PI0918970A BR PI0918970 A2 BRPI0918970 A2 BR PI0918970A2
- Authority
- BR
- Brazil
- Prior art keywords
- algorithm
- irreversible inhibitor
- inhibitor design
- design
- irreversible
- Prior art date
Links
Classifications
-
- C—CHEMISTRY; METALLURGY
- C07—ORGANIC CHEMISTRY
- C07C—ACYCLIC OR CARBOCYCLIC COMPOUNDS
- C07C49/00—Ketones; Ketenes; Dimeric ketenes; Ketonic chelates
- C07C49/20—Unsaturated compounds containing keto groups bound to acyclic carbon atoms
- C07C49/203—Unsaturated compounds containing keto groups bound to acyclic carbon atoms with only carbon-to-carbon double bonds as unsaturation
- C07C49/205—Methyl-vinyl ketone
-
- C—CHEMISTRY; METALLURGY
- C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
- C12N—MICROORGANISMS OR ENZYMES; COMPOSITIONS THEREOF; PROPAGATING, PRESERVING, OR MAINTAINING MICROORGANISMS; MUTATION OR GENETIC ENGINEERING; CULTURE MEDIA
- C12N9/00—Enzymes; Proenzymes; Compositions thereof; Processes for preparing, activating, inhibiting, separating or purifying enzymes
- C12N9/10—Transferases (2.)
- C12N9/12—Transferases (2.) transferring phosphorus containing groups, e.g. kinases (2.7)
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
- G16C20/50—Molecular design, e.g. of drugs
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61P—SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
- A61P43/00—Drugs for specific purposes, not provided for in groups A61P1/00-A61P41/00
-
- C—CHEMISTRY; METALLURGY
- C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
- C12Q—MEASURING OR TESTING PROCESSES INVOLVING ENZYMES, NUCLEIC ACIDS OR MICROORGANISMS; COMPOSITIONS OR TEST PAPERS THEREFOR; PROCESSES OF PREPARING SUCH COMPOSITIONS; CONDITION-RESPONSIVE CONTROL IN MICROBIOLOGICAL OR ENZYMOLOGICAL PROCESSES
- C12Q1/00—Measuring or testing processes involving enzymes, nucleic acids or microorganisms; Compositions therefor; Processes of preparing such compositions
- C12Q1/48—Measuring or testing processes involving enzymes, nucleic acids or microorganisms; Compositions therefor; Processes of preparing such compositions involving transferase
- C12Q1/485—Measuring or testing processes involving enzymes, nucleic acids or microorganisms; Compositions therefor; Processes of preparing such compositions involving transferase involving kinase
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- G16B15/00—ICT specially adapted for analysing two-dimensional [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment
Landscapes
- Chemical & Material Sciences (AREA)
- Life Sciences & Earth Sciences (AREA)
- Engineering & Computer Science (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Health & Medical Sciences (AREA)
- Organic Chemistry (AREA)
- Physics & Mathematics (AREA)
- General Health & Medical Sciences (AREA)
- Spectroscopy & Molecular Physics (AREA)
- Theoretical Computer Science (AREA)
- Medicinal Chemistry (AREA)
- Crystallography & Structural Chemistry (AREA)
- Bioinformatics & Computational Biology (AREA)
- Zoology (AREA)
- Wood Science & Technology (AREA)
- Pharmacology & Pharmacy (AREA)
- Biotechnology (AREA)
- Biophysics (AREA)
- Genetics & Genomics (AREA)
- Computing Systems (AREA)
- Medical Informatics (AREA)
- Microbiology (AREA)
- Proteomics, Peptides & Aminoacids (AREA)
- Evolutionary Biology (AREA)
- General Engineering & Computer Science (AREA)
- Molecular Biology (AREA)
- Biochemistry (AREA)
- Nuclear Medicine, Radiotherapy & Molecular Imaging (AREA)
- Public Health (AREA)
- Chemical Kinetics & Catalysis (AREA)
- Animal Behavior & Ethology (AREA)
- Biomedical Technology (AREA)
- Veterinary Medicine (AREA)
- Analytical Chemistry (AREA)
- General Chemical & Material Sciences (AREA)
- Immunology (AREA)
- Peptides Or Proteins (AREA)
- Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)
- Enzymes And Modification Thereof (AREA)
- Heterocyclic Carbon Compounds Containing A Hetero Ring Having Oxygen Or Sulfur (AREA)
Applications Claiming Priority (2)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| US9478208P | 2008-09-05 | 2008-09-05 | |
| PCT/US2009/056025 WO2010028236A1 (en) | 2008-09-05 | 2009-09-04 | Algorithm for designing irreversible inhibitors |
Publications (1)
| Publication Number | Publication Date |
|---|---|
| BRPI0918970A2 true BRPI0918970A2 (pt) | 2019-09-24 |
Family
ID=41797504
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| BRPI0918970A BRPI0918970A2 (pt) | 2008-09-05 | 2009-09-04 | algoritmo para projeto de inibidores irreversíveis |
Country Status (15)
| Country | Link |
|---|---|
| US (1) | US20100185419A1 (pt) |
| EP (1) | EP2352827A4 (pt) |
| JP (2) | JP2012501654A (pt) |
| KR (1) | KR101341876B1 (pt) |
| CN (2) | CN102405284B (pt) |
| AU (1) | AU2009289602B2 (pt) |
| BR (1) | BRPI0918970A2 (pt) |
| CA (1) | CA2735937A1 (pt) |
| IL (1) | IL211553A0 (pt) |
| MX (1) | MX2011002484A (pt) |
| MY (1) | MY156789A (pt) |
| NZ (2) | NZ603495A (pt) |
| RU (2) | RU2542963C2 (pt) |
| SG (1) | SG193859A1 (pt) |
| WO (1) | WO2010028236A1 (pt) |
Families Citing this family (56)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| US20120101114A1 (en) | 2007-03-28 | 2012-04-26 | Pharmacyclics, Inc. | Inhibitors of bruton's tyrosine kinase |
| TWI433677B (zh) | 2007-06-04 | 2014-04-11 | Avila Therapeutics Inc | 雜環化合物及其用途 |
| MX353308B (es) | 2008-05-21 | 2018-01-08 | Ariad Pharma Inc | Derivados fosforosos como inhibidores de cinasa. |
| US9273077B2 (en) | 2008-05-21 | 2016-03-01 | Ariad Pharmaceuticals, Inc. | Phosphorus derivatives as kinase inhibitors |
| UY32099A (es) | 2008-09-11 | 2010-04-30 | Enanta Pharm Inc | Inhibidores macrocíclicos de serina proteasas de hepatitis c |
| US8232246B2 (en) | 2009-06-30 | 2012-07-31 | Abbott Laboratories | Anti-viral compounds |
| US9556426B2 (en) | 2009-09-16 | 2017-01-31 | Celgene Avilomics Research, Inc. | Protein kinase conjugates and inhibitors |
| JP2013516422A (ja) | 2009-12-30 | 2013-05-13 | アビラ セラピューティクス， インコーポレイテッド | タンパク質のリガンド−指向性共有的修飾 |
| CA3007787C (en) | 2010-06-03 | 2020-03-10 | Pharmacyclics Llc | The use of inhibitors of bruton's tyrosine kinase (btk) |
| CA2822556A1 (en) | 2010-12-30 | 2012-07-05 | Enanta Pharmaceuticals, Inc | Macrocyclic hepatitis c serine protease inhibitors |
| EA201390988A1 (ru) | 2010-12-30 | 2014-04-30 | Энанта Фармасьютикалз, Инк. | Фенантридиновые макроциклические ингибиторы сериновой протеазы вируса гепатита c |
| EP2704572B1 (en) | 2011-05-04 | 2015-12-30 | Ariad Pharmaceuticals, Inc. | Compounds for inhibiting cell proliferation in egfr-driven cancers |
| US10201584B1 (en) | 2011-05-17 | 2019-02-12 | Abbvie Inc. | Compositions and methods for treating HCV |
| JP2014520863A (ja) | 2011-07-13 | 2014-08-25 | ファーマサイクリックス，インク． | Ｂｒｕｔｏｎ型チロシンキナーゼの阻害剤 |
| EP4119551A1 (en) | 2011-07-27 | 2023-01-18 | Astrazeneca AB | 2-(2,4,5-substituted-anilino)pyrimidine compounds |
| US9382239B2 (en) | 2011-11-17 | 2016-07-05 | Dana-Farber Cancer Institute, Inc. | Inhibitors of c-Jun-N-terminal kinase (JNK) |
| US8377946B1 (en) | 2011-12-30 | 2013-02-19 | Pharmacyclics, Inc. | Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors |
| WO2013169401A1 (en) * | 2012-05-05 | 2013-11-14 | Ariad Pharmaceuticals, Inc. | Compounds for inhibiting cell proliferation in egfr-driven cancers |
| SG11201500125QA (en) | 2012-07-11 | 2015-02-27 | Blueprint Medicines Corp | Inhibitors of the fibroblast growth factor receptor |
| CN104704129A (zh) | 2012-07-24 | 2015-06-10 | 药品循环公司 | 与对布鲁顿酪氨酸激酶(btk)抑制剂的抗性相关的突变 |
| EA201590855A1 (ru) | 2012-11-15 | 2015-11-30 | Фармасайкликс, Инк. | Соединения пирролопиримидина как ингибиторы киназ |
| CN105307657B (zh) * | 2013-03-15 | 2020-07-10 | 西建卡尔有限责任公司 | 杂芳基化合物和其用途 |
| CA2908098A1 (en) | 2013-03-15 | 2014-09-25 | Celgene Avilomics Research, Inc. | Mk2 inhibitors and uses thereof |
| EP3943087A1 (en) | 2013-03-15 | 2022-01-26 | Celgene CAR LLC | Heteroaryl compounds and uses thereof |
| US9321786B2 (en) | 2013-03-15 | 2016-04-26 | Celgene Avilomics Research, Inc. | Heteroaryl compounds and uses thereof |
| US9611283B1 (en) | 2013-04-10 | 2017-04-04 | Ariad Pharmaceuticals, Inc. | Methods for inhibiting cell proliferation in ALK-driven cancers |
| CA2902686C (en) | 2013-04-25 | 2017-01-24 | Beigene, Ltd. | Fused heterocyclic compounds as protein kinase inhibitors |
| CN103387510B (zh) * | 2013-08-08 | 2015-09-09 | 苏州永健生物医药有限公司 | 一种β-氨基-alpha-羟基环丁基丁酰胺盐酸盐的合成方法 |
| CN112552401B (zh) | 2013-09-13 | 2023-08-25 | 广州百济神州生物制药有限公司 | 抗pd1抗体及其作为治疗剂与诊断剂的用途 |
| BR112016006978A2 (pt) | 2013-09-30 | 2017-08-01 | Pharmacyclics Llc | inibidores de tirosina quinase de bruton |
| RS63405B1 (sr) | 2013-10-25 | 2022-08-31 | Blueprint Medicines Corp | Inhibitori receptora faktora rasta fibroblasta |
| SI3077395T1 (en) | 2013-12-05 | 2018-03-30 | Pfizer Inc. | Pyrrolo(2,3-d)pyrimidinyl, pyrrolo(2,3-b)pyrazinyl and pyrrolo(2,3-d)pyridinyl acrylamides |
| WO2015103490A1 (en) | 2014-01-03 | 2015-07-09 | Abbvie, Inc. | Solid antiviral dosage forms |
| US9695165B2 (en) | 2014-01-15 | 2017-07-04 | Blueprint Medicines Corporation | Inhibitors of the fibroblast growth factor receptor |
| US9885086B2 (en) | 2014-03-20 | 2018-02-06 | Pharmacyclics Llc | Phospholipase C gamma 2 and resistance associated mutations |
| WO2015196144A2 (en) | 2014-06-20 | 2015-12-23 | England Pamela M | Androgen receptor antagonists |
| CN106604742B (zh) | 2014-07-03 | 2019-01-11 | 百济神州有限公司 | 抗pd-l1抗体及其作为治疗剂及诊断剂的用途 |
| AU2015296215A1 (en) | 2014-08-01 | 2017-03-23 | Pharmacyclics Llc | Inhibitors of bruton's tyrosine kinase |
| JP6558828B2 (ja) * | 2015-08-21 | 2019-08-14 | 株式会社ゲノム創薬研究所 | 予測方法及び該予測方法を用いるタンパク−タンパク相互作用のインターフェースを阻害する阻害剤の候補となり得る化合物の設計方法 |
| CN106407739B (zh) * | 2016-04-22 | 2019-02-22 | 三峡大学 | 小分子共价抑制剂计算机筛选方法及其在筛选s-腺苷甲硫氨酸脱羧酶共价抑制剂的应用 |
| US10864203B2 (en) | 2016-07-05 | 2020-12-15 | Beigene, Ltd. | Combination of a PD-1 antagonist and a RAF inhibitor for treating cancer |
| WO2018033853A2 (en) | 2016-08-16 | 2018-02-22 | Beigene, Ltd. | Crystalline form of (s)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetra-hydropyrazolo[1,5-a]pyrimidine-3-carboxamide, preparation, and uses thereof |
| WO2018033135A1 (en) | 2016-08-19 | 2018-02-22 | Beigene, Ltd. | Use of a combination comprising a btk inhibitor for treating cancers |
| WO2018049233A1 (en) | 2016-09-08 | 2018-03-15 | Nicolas Stransky | Inhibitors of the fibroblast growth factor receptor in combination with cyclin-dependent kinase inhibitors |
| IL292938A (en) | 2016-09-19 | 2022-07-01 | Mei Pharma Inc | Combined treatment |
| US20190362816A1 (en) * | 2016-12-16 | 2019-11-28 | Northwestern University | Systems and Methods for Developing Covalent Inhibitor Libraries for Screening Using Virtual Docking and Experimental Approaches |
| US11555038B2 (en) | 2017-01-25 | 2023-01-17 | Beigene, Ltd. | Crystalline forms of (S)-7-(1-(but-2-ynoyl)piperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, preparation, and uses thereof |
| EP3645569A4 (en) | 2017-06-26 | 2021-03-24 | BeiGene, Ltd. | IMMUNOTHERAPY FOR LIVER CELL CARCINOMA |
| US11377449B2 (en) | 2017-08-12 | 2022-07-05 | Beigene, Ltd. | BTK inhibitors with improved dual selectivity |
| US10426424B2 (en) | 2017-11-21 | 2019-10-01 | General Electric Company | System and method for generating and performing imaging protocol simulations |
| WO2019108795A1 (en) | 2017-11-29 | 2019-06-06 | Beigene Switzerland Gmbh | Treatment of indolent or aggressive b-cell lymphomas using a combination comprising btk inhibitors |
| CA3133766A1 (en) | 2019-03-29 | 2020-10-08 | Astrazeneca Ab | Osimertinib for use in the treatment of non-small cell lung cancer |
| US20220249491A1 (en) | 2019-06-10 | 2022-08-11 | Beigene Switzerland Gmbh | Oral solid tablet comprising bruton's tyrosine kinase inhibitor and preparation method therefor |
| TW202126299A (zh) * | 2019-09-19 | 2021-07-16 | 美商托特斯藥品公司 | 治療性共軛物 |
| WO2023027279A1 (ko) * | 2021-08-27 | 2023-03-02 | 디어젠 주식회사 | 화학구조 내부 원자의 키나아제 결합여부 예측 방법 |
| US11786531B1 (en) | 2022-06-08 | 2023-10-17 | Beigene Switzerland Gmbh | Methods of treating B-cell proliferative disorder |
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| US5756466A (en) * | 1994-06-17 | 1998-05-26 | Vertex Pharmaceuticals, Inc. | Inhibitors of interleukin-1β converting enzyme |
| US6057119A (en) * | 1994-06-17 | 2000-05-02 | Vertex Pharmaceuticals, Incorporated | Crystal structure and mutants of interleukin-1β converting enzyme |
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| TWI433677B (zh) * | 2007-06-04 | 2014-04-11 | Avila Therapeutics Inc | 雜環化合物及其用途 |
| TWI552752B (zh) * | 2007-10-19 | 2016-10-11 | 賽基艾維洛米斯研究股份有限公司 | 雜芳基化合物及其用途 |
| MX2010006736A (es) * | 2007-12-21 | 2010-10-15 | Avila Therapeutics Inc | Inhibidores de proteasa del virus de la hepatitis c (hcv) y usos de los mismos. |
| US9556426B2 (en) * | 2009-09-16 | 2017-01-31 | Celgene Avilomics Research, Inc. | Protein kinase conjugates and inhibitors |
| JP2013516422A (ja) * | 2009-12-30 | 2013-05-13 | アビラ セラピューティクス， インコーポレイテッド | タンパク質のリガンド−指向性共有的修飾 |
-
2009
- 2009-09-04 JP JP2011526225A patent/JP2012501654A/ja active Pending
- 2009-09-04 EP EP09812276.5A patent/EP2352827A4/en not_active Withdrawn
- 2009-09-04 SG SG2013067178A patent/SG193859A1/en unknown
- 2009-09-04 MY MYPI2011000991A patent/MY156789A/en unknown
- 2009-09-04 BR BRPI0918970A patent/BRPI0918970A2/pt not_active IP Right Cessation
- 2009-09-04 KR KR1020117007889A patent/KR101341876B1/ko not_active Expired - Fee Related
- 2009-09-04 RU RU2011108531/10A patent/RU2542963C2/ru not_active IP Right Cessation
- 2009-09-04 RU RU2014150660/10A patent/RU2014150660A/ru not_active Application Discontinuation
- 2009-09-04 CN CN200980144148.XA patent/CN102405284B/zh not_active Expired - Fee Related
- 2009-09-04 CN CN201510983154.1A patent/CN105574346A/zh active Pending
- 2009-09-04 NZ NZ603495A patent/NZ603495A/en not_active IP Right Cessation
- 2009-09-04 CA CA2735937A patent/CA2735937A1/en not_active Abandoned
- 2009-09-04 WO PCT/US2009/056025 patent/WO2010028236A1/en not_active Ceased
- 2009-09-04 NZ NZ621143A patent/NZ621143A/en not_active IP Right Cessation
- 2009-09-04 US US12/554,433 patent/US20100185419A1/en not_active Abandoned
- 2009-09-04 AU AU2009289602A patent/AU2009289602B2/en not_active Ceased
- 2009-09-04 MX MX2011002484A patent/MX2011002484A/es unknown
-
2011
- 2011-03-03 IL IL211553A patent/IL211553A0/en not_active IP Right Cessation
-
2014
- 2014-12-03 JP JP2014245335A patent/JP2015062428A/ja active Pending
Also Published As
| Publication number | Publication date |
|---|---|
| NZ603495A (en) | 2014-05-30 |
| AU2009289602B2 (en) | 2014-02-13 |
| NZ621143A (en) | 2016-08-26 |
| EP2352827A4 (en) | 2016-07-20 |
| US20100185419A1 (en) | 2010-07-22 |
| IL211553A0 (en) | 2011-05-31 |
| CN102405284A (zh) | 2012-04-04 |
| JP2015062428A (ja) | 2015-04-09 |
| MY156789A (en) | 2016-03-31 |
| EP2352827A1 (en) | 2011-08-10 |
| JP2012501654A (ja) | 2012-01-26 |
| AU2009289602A1 (en) | 2010-03-11 |
| CN102405284B (zh) | 2016-01-20 |
| RU2014150660A (ru) | 2015-07-20 |
| RU2011108531A (ru) | 2012-10-10 |
| KR20110084169A (ko) | 2011-07-21 |
| HK1169139A1 (zh) | 2013-01-18 |
| CN105574346A (zh) | 2016-05-11 |
| RU2542963C2 (ru) | 2015-02-27 |
| CA2735937A1 (en) | 2010-03-11 |
| MX2011002484A (es) | 2011-09-26 |
| WO2010028236A1 (en) | 2010-03-11 |
| SG193859A1 (en) | 2013-10-30 |
| KR101341876B1 (ko) | 2013-12-20 |
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| B08F | Application dismissed because of non-payment of annual fees [chapter 8.6 patent gazette] | ||
| B25D | Requested change of name of applicant approved |
Owner name: CELGENE AVILOMICS RESEARCH, INC. (US) |
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| B08K | Patent lapsed as no evidence of payment of the annual fee has been furnished to inpi [chapter 8.11 patent gazette] |
Free format text: EM VIRTUDE DO ARQUIVAMENTO PUBLICADO NA RPI 2543 DE 01-10-2019 E CONSIDERANDO AUSENCIA DE MANIFESTACAO DENTRO DOS PRAZOS LEGAIS, INFORMO QUE CABE SER MANTIDO O ARQUIVAMENTO DO PEDIDO DE PATENTE, CONFORME O DISPOSTO NO ARTIGO 12, DA RESOLUCAO 113/2013. |