Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.54 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | PRKDC | P78527 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL16070019 | 0.88 | ATR (0.63) | ATRGSK3BPRKDC | |
| SCHEMBL16093104 | 0.86 | ATR (0.58) | ATRGSK3BPRKDC | |
| SCHEMBL16093101 | 0.84 | ATR (0.53) | ATRGSK3BPRKDC | |
| SCHEMBL16070064 | 0.82 | ATR (0.79) | ATRGSK3BPRKDC | |
| SCHEMBL16489083 | 0.79 | ATR (0.62) | ATRGSK3BPRKDC | |
| SCHEMBL16070049 | 0.78 | ATR (0.63) | ATRGSK3BPRKDC | |
| SCHEMBL3053001 | 0.77 | ATR (0.57) | ATRGSK3BPRKDC | |
| SCHEMBL2483511 | 0.76 | ATR (0.76) | ATRGSK3BPRKDC | |
| SCHEMBL2482117 | 0.76 | ATR (0.66) | ATRGSK3BPRKDC | |
| SCHEMBL2539826 | 0.76 | ATR (0.78) | 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 |
|---|---|---|---|---|---|---|---|
| US-8841308-B2 | Pyrazin-2-amines useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-23 | — | — | US | disclosed |