⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL5206533 | 0.73 | DGAT1 (0.31) | — | |
| SCHEMBL6069602 | 0.68 | KDR (0.33) | — | |
| Pyridine SCHEMBL5241809 | 0.61 | NOTUM (0.32) | — | |
| SCHEMBL31378467 | 0.59 | PTPN11 (0.40) | — | |
| SCHEMBL32687927 | 0.57 | DHODH (0.36) | — | |
| SCHEMBL23193772 | 0.57 | BRD4 (0.39) | — | |
| SCHEMBL29974789 | 0.57 | BRD4 (0.39) | — | |
| SCHEMBL31480241 | 0.56 | NPC1 (0.40) | — | |
| SCHEMBL8577459 | 0.55 | ALDH1A1 (0.58) | — | |
| SCHEMBL21988831 | 0.54 | HSD17B10 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7053107-B2 | Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use | AGOURON PHARMACEUTICALS, INC. (US) | 2006-05-30 | — | — | US | disclosed |
| US-20040192735-A1 | Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use | AGOURON PHARMACEUTICALS, INC. | 2004-09-30 | — | — | US | disclosed |