Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 13/20 | 0.63 |
| ▸ | CDK2 | P24941 | 5/20 | 0.63 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.63 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.63 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11931098 | 0.82 | CHEK1 (0.73) | CHEK1CDK2CCNA2CCNA1GSK3B | |
| SCHEMBL11931102 | 0.80 | CHEK1 (0.77) | CHEK1CDK2CCNA2CCNA1 | |
| SCHEMBL12405130 | 0.79 | CHEK1 (0.78) | CHEK1CDK2CCNA2CCNA1 | |
| SCHEMBL14218634 | 0.78 | CHEK1 (0.77) | CHEK1CDK2CCNA2CCNA1 | |
| SCHEMBL11931082 | 0.78 | CHEK1 (1.00) | CHEK1CDK2CCNA2CCNA1 | |
| SCHEMBL14516626 | 0.78 | CHEK1 (0.81) | CHEK1CDK2CCNA2CCNA1 | |
| SCHEMBL11931094 | 0.77 | CHEK1 (0.73) | CHEK1CDK2CCNA2CCNA1 | |
| SCHEMBL12405131 | 0.77 | CHEK1 (0.73) | CHEK1CDK2CCNA2CCNA1 | |
| SCHEMBL17366198 | 0.77 | CHEK1 (0.73) | CHEK1CDK2CCNA2CCNA1 | |
| SCHEMBL15146198 | 0.77 | CHEK1 (0.73) | CHEK1CDK2CCNA2CCNA1 |
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-2069348-B1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-12-30 | — | — | EP | disclosed |