⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29033931 | 0.79 | — | — | |
| SCHEMBL7442539 | 0.79 | — | — | |
| SCHEMBL1694479 | 0.76 | — | — | |
| SCHEMBL14360071 | 0.76 | — | — | |
| SCHEMBL23933272 | 0.74 | — | — | |
| SCHEMBL3629503 | 0.74 | — | — | |
| SCHEMBL21054616 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL18587333 | 0.72 | — | — | |
| SCHEMBL23933248 | 0.72 | MCL1 (0.38) | — | |
| SCHEMBL15904204 | 0.70 | CYP2D6 (0.36) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11390604-B2 | Imidazole-pyrazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2022-07-19 | — | — | US | disclosed |
| US-20200290998-A1 | NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2020-09-17 | — | — | US | disclosed |
| EP-1752457-B1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2014-03-19 | — | — | EP | disclosed |
| WO-2014022752-A1 | MACROCYCLES AS PIM INHIBITORS | AMGEN INC. (US) | 2014-02-06 | — | — | WO | disclosed |
| US-8178543-B2 | growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-05-15 | — | — | US | disclosed |
| WO-2010036917-A1 | PREVENTION AND TREATMENT OF CANCER WITH RAS GENE MUTATION | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-04-01 | — | — | WO | disclosed |
| WO-2010036910-A1 | HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR | OHTA YOSHIKAZU (JP) | 2010-04-01 | — | — | WO | disclosed |
| WO-2010036928-A1 | PREVENTION AND TREATMENT OF CANCER WITH LKB1 NON-EXPRESSION (DELETION OR MUTATION) | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-04-01 | — | — | WO | disclosed |
| US-20090203717-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-13 | — | — | US | disclosed |
| EP-1778231-A4 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2009-06-03 | — | — | EP | disclosed |
| US-7507740-B2 | Fused heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-03-24 | — | — | US | disclosed |
| US-20090029973-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-01-29 | — | — | US | disclosed |
| US-20090018335-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-01-15 | — | — | US | disclosed |
| US-20080096861-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-24 | — | — | US | disclosed |
| US-20070244132-A1 | Fused Heterocyclic Compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-10-18 | — | — | US | disclosed |
| EP-1778231-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-02 | — | — | EP | disclosed |
| EP-1752457-A1 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2007-02-14 | — | — | EP | disclosed |
| WO-2006020415-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-02-23 | — | — | WO | disclosed |