⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5374181 | 0.75 | DRD1 (0.33) | — | |
| SCHEMBL5382088 | 0.75 | PDE8B (0.31) | — | |
| SCHEMBL5372749 | 0.73 | IRAK4 (0.35) | — | |
| SCHEMBL5377904 | 0.73 | NPC1 (0.38) | — | |
| SCHEMBL6501666 | 0.73 | CPT1A (0.36) | — | |
| SCHEMBL21463409 | 0.69 | RXFP1 (0.39) | — | |
| SCHEMBL5386396 | 0.68 | RET (0.40) | — | |
| SCHEMBL5667992 | 0.68 | ATR (0.33) | — | |
| SCHEMBL5373368 | 0.67 | DRD1 (0.34) | — | |
| SCHEMBL1513072 | 0.66 | CMKLR1 (0.41) | — |
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-6897231-B2 | Indazole derivatives as JNK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, INC. (US) | 2005-05-24 | — | — | US | disclosed |
| US-20020103229-A1 | Indazole derivatives as JNK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC | 2002-08-01 | — | — | US | disclosed |