Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.71 |
| ▸ | PRKDC | P78527 | 5/20 | 0.62 |
| ▸ | ATM | Q13315 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3042866 | 0.89 | ATR (0.71) | ATRPRKDCATM | |
| SCHEMBL2483528 | 0.84 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL6035526 | 0.80 | GSK3B (0.71) | ATR | |
| SCHEMBL2483383 | 0.79 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL2483720 | 0.79 | ATR (1.00) | ATRPRKDC | |
| SCHEMBL2484273 | 0.79 | ATR (1.00) | ATRPRKDC | |
| SCHEMBL2484773 | 0.78 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL30606835 | 0.78 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL2483746 | 0.78 | ATR (1.00) | ATRPRKDCATM | |
| SCHEMBL2510765 | 0.78 | ATR (1.00) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2376485-A1 | PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010071837-A1 | PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-24 | — | — | WO | disclosed |