Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20433745 | 0.92 | ATR (0.47) | ATR | |
| SCHEMBL20433746 | 0.89 | ATR (0.49) | ATRGSK3BPRKDC | |
| SCHEMBL20433167 | 0.83 | ATR (0.46) | ATRGSK3BPRKDC | |
| SCHEMBL19672698 | 0.82 | ATR (0.55) | ATRGSK3BPRKDC | |
| SCHEMBL3051613 | 0.81 | ATR (0.53) | ATRGSK3BPRKDC | |
| SCHEMBL20433736 | 0.81 | ATR (0.47) | ATR | |
| SCHEMBL20433576 | 0.80 | ATR (0.59) | ATRGSK3BPRKDC | |
| SCHEMBL3063125 | 0.79 | ATR (0.54) | ATRGSK3BPRKDC | |
| SCHEMBL19672820 | 0.79 | ATR (0.49) | ATRGSK3BPRKDC | |
| SCHEMBL19672838 | 0.77 | ATR (0.75) | 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 |
|---|---|---|---|---|---|---|---|
| EP-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |