Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.81 |
| ▸ | GSK3B | P49841 | 1/20 | 0.81 |
| ▸ | PRKDC | P78527 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| SCHEMBL13138195 | 0.91 | ATR (0.86) | ATRGSK3BPRKDC | |
| SCHEMBL2513058 | 0.90 | ATR (1.00) | ATRGSK3BPRKDC | |
| SCHEMBL3053014 | 0.89 | ATR (1.00) | ATRGSK3BPRKDC | |
| SCHEMBL13138178 | 0.89 | ATR (0.83) | ATRGSK3BPRKDC | |
| SCHEMBL13138047 | 0.88 | ATR (0.81) | ATRGSK3BPRKDC | |
| SCHEMBL13138228 | 0.88 | ATR (0.81) | ATRGSK3BPRKDC | |
| SCHEMBL20283870 | 0.87 | ATR (0.80) | ATRGSK3BPRKDC | |
| SCHEMBL20283849 | 0.87 | ATR (0.80) | ATRGSK3BPRKDC | |
| SCHEMBL2484306 | 0.87 | ATR (0.80) | ATRGSK3BPRKDC | |
| SCHEMBL2524693 | 0.86 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106496209-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2020-06-30 | — | — | CN | disclosed |
| CN-106496210-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2020-06-09 | — | — | CN | disclosed |
| CN-106518856-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2020-04-28 | — | — | CN | disclosed |