Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.88 |
| ▸ | PRKDC | P78527 | 7/20 | 0.88 |
| ▸ | ATM | Q13315 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL2487055 | 0.94 | ATR (1.00) | ATRPRKDCATMCYP3A4 | |
| SCHEMBL2483560 | 0.91 | ATR (1.00) | ATRPRKDCCYP3A4 | |
| SCHEMBL2485447 | 0.88 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL30667685 | 0.85 | ATR (1.00) | ATRPRKDCATMCYP3A4 | |
| SCHEMBL2480842 | 0.85 | ATR (1.00) | ATRPRKDCATMCYP3A4 | |
| SCHEMBL19101062 | 0.83 | ATR (0.87) | ATRPRKDCATMCYP3A4 | |
| SCHEMBL3459870 | 0.81 | ATR (0.74) | ATRPRKDC | |
| SCHEMBL2486940 | 0.80 | ATR (1.00) | ATRPRKDCATMCYP3A4 | |
| Hydrochloric Acid SCHEMBL3159476 | 0.80 | GSK3B (0.75) | ATRPRKDC | |
| SCHEMBL3462673 | 0.80 | ATR (0.66) | ATRPRKDCATM |
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 |
|---|---|---|---|---|---|---|---|
| US-9701674-B2 | Substituted pyrazines as ATR kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-11 | — | — | US | disclosed |