Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.92 |
| ▸ | PRKDC | P78527 | 4/20 | 0.68 |
| ▸ | ATM | Q13315 | 3/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL2510765 | 0.96 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL2482627 | 0.91 | ATR (1.00) | ATRPRKDC | |
| SCHEMBL13138647 | 0.91 | ATR (1.00) | ATRPRKDC | |
| SCHEMBL16424979 | 0.91 | ATR (1.00) | ATRPRKDC | |
| SCHEMBL13138641 | 0.91 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL16491614 | 0.91 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL2483516 | 0.89 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL3053123 | 0.88 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL20433390 | 0.87 | ATR (0.83) | ATRPRKDCATM | |
| SCHEMBL2486742 | 0.82 | ATR (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| US-9701674-B2 | Substituted pyrazines as ATR kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-11 | — | — | US | disclosed |
| US-9365557-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |