Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 16/20 | 0.57 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | PRKDC | P78527 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL615898 | 0.88 | ATR (0.56) | ATRATMPRKDC | |
| SCHEMBL10256383 | 0.83 | ATR (0.53) | ATRATMPRKDC | |
| SCHEMBL615211 | 0.82 | ATR (0.57) | ATRATMPRKDC | |
| SCHEMBL614408 | 0.80 | ATR (0.66) | ATR | |
| SCHEMBL616334 | 0.79 | ATR (0.59) | ATR | |
| SCHEMBL615210 | 0.78 | ATR (0.58) | ATRATMPRKDC | |
| SCHEMBL617308 | 0.77 | ATR (0.56) | ATR | |
| SCHEMBL2492061 | 0.77 | ATR (0.55) | ATR | |
| SCHEMBL616926 | 0.77 | ATR (0.58) | ATR | |
| SCHEMBL617520 | 0.77 | ATR (0.54) | ATRPRKDC |
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 |