Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.55 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20433242 | 0.91 | ATR (0.47) | ATRATM | |
| SCHEMBL20433577 | 0.88 | ATR (0.52) | ATRGSK3BPRKDC | |
| SCHEMBL20433601 | 0.85 | ATR (0.53) | ATRATM | |
| SCHEMBL20433393 | 0.85 | ATR (0.56) | ATRPRKDCATM | |
| SCHEMBL19672838 | 0.84 | ATR (0.75) | ATRGSK3BPRKDC | |
| SCHEMBL3051613 | 0.84 | ATR (0.53) | ATRGSK3BPRKDCATM | |
| SCHEMBL19672750 | 0.83 | ATR (0.57) | ATR | |
| SCHEMBL20433529 | 0.83 | ATR (0.53) | ATRGSK3BPRKDCATM | |
| SCHEMBL20433566 | 0.82 | ATR (0.49) | ATRGSK3BPRKDC | |
| SCHEMBL19672755 | 0.82 | ATR (0.63) | 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-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |
| EP-2376485-B1 | PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2017-12-06 | — | — | EP | disclosed |