Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 8/20 | 0.39 |
| ▸ | AURKA | O14965 | 4/20 | 0.39 |
| ▸ | ATR | Q13535 | 3/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | PAICS | P22234 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.33 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20649069 | 1.00 | CDK2 (0.39) | CDK2AURKAATRCCNA2CCNA1 | |
| SCHEMBL20649066 | 0.96 | ATR (0.42) | CDK2AURKAATRCCNA2CCNA1 | |
| SCHEMBL20649064 | 0.96 | ATR (0.42) | CDK2AURKAATRCCNA2CCNA1 | |
| SCHEMBL30183173 | 0.96 | ATR (0.42) | CDK2AURKAATRCCNA2CCNA1 | |
| SCHEMBL20649118 | 0.92 | CDK2 (0.38) | CDK2AURKACCNA2CCNA1PDGFRB | |
| Hydrochloric Acid SCHEMBL30183514 | 0.92 | CDK2 (0.38) | CDK2AURKACCNA2CCNA1PDGFRB | |
| Hydrochloric Acid SCHEMBL21875630 | 0.92 | CDK2 (0.38) | CDK2AURKACCNA2CCNA1PDGFRB | |
| SCHEMBL21875705 | 0.91 | CDK2 (0.36) | CDK2AURKAATRCCNA2CCNA1 | |
| SCHEMBL20649161 | 0.90 | CDK2 (0.45) | CDK2AURKACCNA2CCNA1CDK5 | |
| SCHEMBL30183523 | 0.90 | CDK2 (0.45) | CDK2AURKACCNA2CCNA1CDK5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110997678-B | Pyrazoloquinazoline derivatives as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2023-02-21 | — | — | CN | claimed |
| CN-110997678-B | Pyrazoloquinazoline derivatives as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2023-02-21 | — | — | CN | disclosed |