Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | PRKDC | P78527 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13345796 | 0.79 | ATR (0.68) | ATRGSK3BPRKDC | |
| SCHEMBL13347140 | 0.73 | ATR (0.56) | ATRGSK3BPRKDC | |
| SCHEMBL2524693 | 0.71 | ATR (0.75) | ATRGSK3BPRKDC | |
| SCHEMBL13138055 | 0.70 | ATR (0.80) | ATRGSK3BPRKDC | |
| SCHEMBL13346606 | 0.70 | ATR (0.65) | ATRGSK3BPRKDC | |
| SCHEMBL2483501 | 0.69 | ATR (0.67) | ATRGSK3BPRKDC | |
| SCHEMBL29923372 | 0.69 | ATR (0.66) | ATRGSK3BPRKDC | |
| SCHEMBL13138315 | 0.69 | ATR (0.66) | ATRGSK3BPRKDC | |
| SCHEMBL2487760 | 0.69 | ATR (0.72) | ATRGSK3BPRKDC | |
| SCHEMBL13138195 | 0.69 | ATR (0.86) | ATRGSK3BPRKDC |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010071837-A1 | PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-24 | — | — | WO | disclosed |