⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4441491 | 0.78 | RECQL (0.33) | — | |
| SCHEMBL2464431 | 0.75 | PDE10A (0.30) | — | |
| SCHEMBL15402179 | 0.74 | MAPKAPK2 (0.38) | — | |
| SCHEMBL4427892 | 0.74 | CRBN (0.34) | — | |
| SCHEMBL618168 | 0.74 | GRM1 (0.45) | — | |
| SCHEMBL7453323 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL617804 | 0.71 | NPSR1 (0.35) | — | |
| SCHEMBL4438531 | 0.71 | GPR119 (0.31) | — | |
| SCHEMBL25223691 | 0.69 | NPSR1 (0.33) | — | |
| SCHEMBL7455268 | 0.69 | PDPK1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2370424-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010054398-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-14 | — | — | WO | disclosed |