⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28317413 | 0.76 | — | — | |
| SCHEMBL16259089 | 0.69 | ESR1 (0.39) | — | |
| SCHEMBL19140089 | 0.67 | — | — | |
| SCHEMBL10138656 | 0.65 | — | — | |
| SCHEMBL18236222 | 0.65 | NFKB1 (0.34) | — | |
| SCHEMBL18236234 | 0.63 | HRH1 (0.33) | — | |
| SCHEMBL834355 | 0.62 | — | — | |
| SCHEMBL12777890 | 0.62 | — | — | |
| SCHEMBL2708549 | 0.62 | HRH4 (0.67) | — | |
| SCHEMBL889028 | 0.62 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8859582-B2 | Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors | ASTEX THERAPEUTICS LIMITED (GB) | 2014-10-14 | — | — | US | disclosed |
| US-8859582-B2 | Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors | ASTEX THERAPEUTICS LIMITED (GB) | 2014-10-14 | — | — | US | disclosed |
| US-20120035152-A1 | BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2012-02-09 | — | — | US | disclosed |
| US-20120035152-A1 | BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2012-02-09 | — | — | US | disclosed |
| US-8071614-B2 | Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors | ASTEX THERAPEUTICS LIMITED (GB) | 2011-12-06 | — | — | US | disclosed |
| US-8071614-B2 | Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors | ASTEX THERAPEUTICS LIMITED (GB) | 2011-12-06 | — | — | US | disclosed |
| US-20100286113-A1 | BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2010-11-11 | — | — | US | disclosed |
| US-20100286113-A1 | BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2010-11-11 | — | — | US | disclosed |
| WO-2009047522-A1 | BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2009-04-16 | — | — | WO | disclosed |