Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20433537 | 0.93 | ATR (0.49) | ATR | |
| SCHEMBL20433548 | 0.93 | ATR (0.58) | ATRGSK3BPRKDC | |
| SCHEMBL19672703 | 0.92 | ATR (0.48) | ATR | |
| SCHEMBL20433547 | 0.90 | ATR (0.60) | ATRGSK3BPRKDC | |
| SCHEMBL19672700 | 0.89 | ATR (0.58) | ATR | |
| SCHEMBL20433015 | 0.88 | ATR (0.55) | ATRGSK3BPRKDC | |
| SCHEMBL20433189 | 0.88 | ATR (0.54) | ATRPRKDC | |
| SCHEMBL20432981 | 0.87 | ATR (0.55) | ATRPRKDC | |
| SCHEMBL19672661 | 0.85 | ATR (0.49) | ATRGSK3BPRKDC | |
| SCHEMBL3046458 | 0.85 | ATR (0.51) | 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 |