Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.64 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.64 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.61 |
| ▸ | ATR | Q13535 | 6/20 | 0.60 |
| ▸ | CCNC | P24863 | 7/20 | 0.58 |
| ▸ | CDK8 | P49336 | 7/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.50 |
| ▸ | EIF4E | P06730 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16420512 | 0.89 | ATR (0.71) | MKNK2MKNK1SIGMAR1ATRCCNC | |
| SCHEMBL5266293 | 0.84 | SIGMAR1 (0.80) | MKNK2MKNK1SIGMAR1CCNCCDK8 | |
| SCHEMBL16420762 | 0.84 | CCNC (0.68) | ATRCCNCCDK8 | |
| SCHEMBL18766571 | 0.84 | MKNK2 (0.55) | MKNK2MKNK1ATRCCNCCDK8 | |
| SCHEMBL18766582 | 0.84 | MKNK2 (0.55) | MKNK2MKNK1ATRCCNCCDK8 | |
| Hydrochloric Acid SCHEMBL4763940 | 0.83 | SIGMAR1 (0.77) | MKNK2MKNK1SIGMAR1CCNCCDK8 | |
| SCHEMBL28125681 | 0.79 | ACACB (0.66) | ATR | |
| SCHEMBL894920 | 0.78 | SIGMAR1 (1.00) | MKNK2MKNK1SIGMAR1CCNCCDK8 | |
| SCHEMBL28393 | 0.78 | SIGMAR1 (1.00) | MKNK2MKNK1SIGMAR1CCNCCDK8 | |
| SCHEMBL8260488 | 0.78 | SIGMAR1 (0.72) | MKNK2MKNK1SIGMAR1CCNCCDK8 |
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-106518856-A | Pyrazine derivatives useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-106496210-A | It is used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-03-15 | — | — | CN | disclosed |
| CN-106496209-A | It is used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-03-15 | — | — | CN | disclosed |