⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1263003 | 0.71 | — | — | |
| SCHEMBL30118127 | 0.71 | — | — | |
| SCHEMBL441101 | 0.71 | — | — | |
| SCHEMBL30502841 | 0.71 | — | — | |
| SCHEMBL23649908 | 0.70 | CDC25B (0.36) | — | |
| SCHEMBL5799303 | 0.70 | — | — | |
| SCHEMBL13811980 | 0.70 | — | — | |
| SCHEMBL29362249 | 0.70 | — | — | |
| SCHEMBL2342848 | 0.67 | CHRNB2 (0.48) | — | |
| SCHEMBL29438246 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10174011-B2 | Heterocyclic compounds, process for preparation of the same and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2019-01-08 | — | — | US | disclosed |
| US-20170158680-A1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-06-08 | — | — | US | disclosed |
| EP-3115361-A1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015131856-A1 | HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF | 中国科学院上海药物研究所 | 2015-09-11 | — | — | WO | disclosed |
| CN-102459249-A | Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases | EXELIXIS INC | 2012-05-16 | — | — | CN | disclosed |
| EP-2385041-A1 | Pyrazole-amine compounds useful as kinase inhibitors | Bristol-Myers Squibb Company (US) | 2011-11-09 | — | — | EP | disclosed |
| EP-1899346-B1 | PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-06-15 | — | — | EP | disclosed |
| EP-1618092-B1 | ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2010-09-22 | — | — | EP | disclosed |
| EP-2133348-A1 | Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors | Bristol-Myers Squibb Company (US) | 2009-12-16 | — | — | EP | disclosed |
| US-7605273-B2 | Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-20 | — | — | US | disclosed |
| US-20080108626-A1 | (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease | BRISTOL-MYERS SQUIBB COMPANY | 2008-05-08 | — | — | US | disclosed |
| US-20080108626-A1 | (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease | BRISTOL-MYERS SQUIBB COMPANY | 2008-05-08 | — | — | US | disclosed |
| US-20080004278-A1 | (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-03 | — | — | US | disclosed |
| US-20080004278-A1 | (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-03 | — | — | US | disclosed |
| US-7253167-B2 | Tricyclic-heteroaryl compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-08-07 | — | — | US | disclosed |
| US-7253167-B2 | Tricyclic-heteroaryl compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-08-07 | — | — | US | disclosed |
| WO-2007005708-A1 | PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS AND METHODS OF TREATING KINASE-ASSOCIATED CONDITIONS THEREWITH | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-11 | — | — | WO | disclosed |
| WO-2007005707-A2 | INTERMEDIATES USEFUL IN PREPARING CERTAIN PYRROLOTRIAZINE COMPOUNDS AND PROCESS FOR MAKING SUCH INTERMEDIATES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-11 | — | — | WO | disclosed |
| WO-2007005709-A1 | INTERMEDIATES USEFUL IN PREPARING CERTAIN PYRROLOTRIAZINE COMPOUNDS AND PROCESS FOR MAKING SUCH INTERMEDIATES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-11 | — | — | WO | disclosed |
| WO-2007005631-A1 | PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-11 | — | — | WO | disclosed |