Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 18/20 | 0.36 |
| ▸ | NEK2 | P51955 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | PRKDC | P78527 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL24681070 | 0.98 | ATR (0.36) | ATRNEK2ROCK2ROCK1PRKDC | |
| SCHEMBL20433517 | 0.81 | ATR (0.35) | ATRNEK2 | |
| SCHEMBL20433561 | 0.79 | ATR (0.38) | ATRNEK2GSK3BPRKDC | |
| SCHEMBL20433069 | 0.78 | ATR (0.47) | ATR | |
| SCHEMBL20433492 | 0.77 | ATR (0.52) | ATRPRKDC | |
| SCHEMBL20433365 | 0.77 | ATR (0.54) | ATRPRKDC | |
| SCHEMBL20433319 | 0.77 | ATR (0.51) | ATR | |
| SCHEMBL20433339 | 0.75 | ATR (0.42) | ATR | |
| SCHEMBL20433475 | 0.74 | ATR (0.53) | ATR | |
| SCHEMBL24681760 | 0.72 | ATR (0.38) | ATRNEK2 |
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-4059932-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2022-09-21 | — | — | EP | disclosed |
| EP-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |