Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 7/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.50 |
| ▸ | CDK1 | P06493 | 5/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 6/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | BCL3 | P20749 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | LYN | P07948 | 1/20 | 0.34 |
| ▸ | GRK2 | P25098 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8219161 | 0.88 | CCNA2 (0.63) | CDK2CCNA2CDK1CCNB1CCNA1 | |
| SCHEMBL8261337 | 0.85 | CCNA2 (0.57) | CDK2CCNA2CDK1CCNB1ADORA2A | |
| SCHEMBL8219257 | 0.84 | CDK2 (0.56) | CDK2CCNA2CDK1CCNB1CCNA1 | |
| SCHEMBL8228035 | 0.83 | CCNA2 (0.55) | CDK2CCNA2ADORA2AADORA1GSK3B | |
| SCHEMBL8226199 | 0.82 | CCNA2 (0.53) | CDK2CCNA2CDK1CCNB1ADORA2A | |
| SCHEMBL8262274 | 0.81 | CDK2 (0.50) | CDK2CCNA2CDK1CCNB1CCNA1 | |
| SCHEMBL8219744 | 0.81 | CDK2 (0.50) | CDK2CCNA2CDK1CCNB1CCNA1 | |
| SCHEMBL8228006 | 0.80 | CDK2 (0.49) | CDK2CCNA2CDK1CCNB1CCNA1 | |
| SCHEMBL13543788 | 0.79 | CCNA2 (0.48) | CDK2CCNA2CDK1CCNB1ADORA2A | |
| SCHEMBL8261195 | 0.78 | GSK3B (0.53) | CDK2CCNA2GSK3BKCNH2MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651612-B1 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LTD (GB) | 2012-04-11 | — | — | EP | disclosed |
| WO-2008007122-A2 | COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |
| WO-2006077425-A1 | COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| WO-2005012256-A1 | 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |