Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.66 |
| ▸ | GSK3B | P49841 | 1/20 | 0.65 |
| ▸ | PRKDC | P78527 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL16070043 | 0.92 | ATR (0.63) | ATRGSK3BPRKDC | |
| SCHEMBL2510905 | 0.86 | ATR (0.72) | ATRGSK3BPRKDC | |
| SCHEMBL16093103 | 0.85 | ATR (0.73) | ATR | |
| SCHEMBL3051324 | 0.84 | ATR (0.77) | ATRGSK3BPRKDC | |
| SCHEMBL13138047 | 0.82 | ATR (0.81) | ATRGSK3BPRKDC | |
| SCHEMBL13138228 | 0.82 | ATR (0.81) | ATRGSK3BPRKDC | |
| SCHEMBL16070030 | 0.82 | ATR (0.77) | ATRGSK3BPRKDC | |
| SCHEMBL20283849 | 0.81 | ATR (0.80) | ATRGSK3BPRKDC | |
| SCHEMBL13138178 | 0.81 | ATR (0.83) | ATRGSK3BPRKDC | |
| SCHEMBL13138195 | 0.81 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8841308-B2 | Pyrazin-2-amines useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-23 | — | — | US | disclosed |
| US-8841308-B2 | Pyrazin-2-amines useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-23 | — | — | US | disclosed |