⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9870201 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL637345 | 0.72 | MEN1 (0.43) | — | |
| SCHEMBL5595305 | 0.71 | KDM4E (0.52) | — | |
| SCHEMBL6247283 | 0.70 | KDM4E (0.41) | — | |
| SCHEMBL78634 | 0.70 | RAB9A (0.44) | — | |
| SCHEMBL2034106 | 0.70 | MAPT (0.35) | — | |
| SCHEMBL1673128 | 0.69 | — | — | |
| SCHEMBL115772 | 0.69 | NPC1 (0.34) | — | |
| SCHEMBL6773803 | 0.69 | NTRK1 (0.30) | — | |
| SCHEMBL10915970 | 0.69 | ESR1 (0.45) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3303335-B1 | HETEROCYCLIC COMPOUNDS FOR TREATING PSORIASIS | JS INNOPHARM SHANGHAI LTD (CN) | 2021-07-28 | — | — | EP | disclosed |
| EP-3337787-B1 | 1H-PYRAZOLO[3,4-B]PYRIDINE, 1H-THIENO[2,3-C]PYRAZOLE AND 1H-INDAZOLE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS EXTRACELLULAR SIGNAL-REGULATED KINASES (ERK) INHIBITORS FOR TREATING CANCER | JS INNOPHARM SHANGHAI LTD (CN) | 2021-03-03 | — | — | EP | disclosed |
| EP-3110815-B1 | INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS | JIANGSU ASCENTAGE BIOMED DEV INC (CN) | 2020-02-19 | — | — | EP | disclosed |
| EP-3110815-A1 | INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS | Jiangsu Ascentage Biomed Development Inc. (CN) | 2017-01-04 | — | — | EP | disclosed |
| WO-2015127629-A1 | INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS | JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) | 2015-09-03 | — | — | WO | disclosed |