⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14712327 | 0.86 | PLK4 (0.33) | — | |
| SCHEMBL13059470 | 0.80 | PLK4 (0.43) | — | |
| SCHEMBL13060172 | 0.79 | IRAK4 (0.32) | — | |
| SCHEMBL13059352 | 0.78 | STK17B (0.30) | — | |
| SCHEMBL13215364 | 0.77 | PLK4 (0.34) | — | |
| SCHEMBL13060173 | 0.77 | JAK2 (0.31) | — | |
| SCHEMBL10067793 | 0.77 | ROCK2 (0.34) | — | |
| SCHEMBL10067628 | 0.75 | RIPK1 (0.33) | — | |
| SCHEMBL13060111 | 0.74 | SSTR4 (0.33) | — | |
| SCHEMBL10068279 | 0.72 | JAK3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2537849-A2 | Azaindoles useful as inhibitors of janus kinases | Vertex Pharmaceuticals, Inc. (US) | 2012-12-26 | — | — | EP | disclosed |