Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.75 |
| ▸ | GSK3B | P49841 | 1/20 | 0.69 |
| ▸ | PRKDC | P78527 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL2510477 | 0.87 | ATR (0.76) | ATRGSK3BPRKDC | |
| SCHEMBL3059300 | 0.85 | ATR (1.00) | ATRGSK3BPRKDC | |
| SCHEMBL2507663 | 0.84 | ATR (0.78) | ATRGSK3BPRKDC | |
| SCHEMBL2514747 | 0.84 | ATR (1.00) | ATRGSK3BPRKDC | |
| SCHEMBL13138257 | 0.84 | ATR (1.00) | ATRGSK3BPRKDC | |
| SCHEMBL13138220 | 0.83 | ATR (1.00) | ATRGSK3BPRKDC | |
| SCHEMBL2510299 | 0.83 | ATR (1.00) | ATRGSK3BPRKDC | |
| SCHEMBL13138195 | 0.83 | ATR (0.86) | ATRGSK3BPRKDC | |
| SCHEMBL2512435 | 0.82 | ATR (0.71) | ATRGSK3BPRKDC | |
| SCHEMBL2513058 | 0.82 | ATR (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| 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 |