Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.44 |
| ▸ | CDK2 | P24941 | 8/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.43 |
| ▸ | KCNN3 | Q9UGI6 | 7/20 | 0.39 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.37 |
| ▸ | KCNN2 | Q9H2S1 | 2/20 | 0.37 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 5/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.36 |
| ▸ | CDK1 | P06493 | 4/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 3/20 | 0.35 |
| ▸ | GSK3A | P49840 | 2/20 | 0.35 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CCNK | O75909 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12953181 | 0.86 | GSK3B (0.64) | GSK3BCDK2CCNE1 | |
| SCHEMBL14545932 | 0.83 | CDK2 (0.42) | GSK3BCDK2CCNE1CDK9CDK5 | |
| SCHEMBL12953588 | 0.80 | NPC1 (0.48) | GSK3BCDK2CCNE1KCNN3KCNN1 | |
| SCHEMBL30356875 | 0.79 | CDK2 (0.51) | GSK3BCDK2CCNE1KCNN3KCNN1 | |
| SCHEMBL30356848 | 0.78 | GSK3B (0.50) | GSK3BCDK2CCNE1KCNN3KCNN1 | |
| SCHEMBL23152045 | 0.77 | GSK3B (0.48) | GSK3BCDK2CCNE1KCNN3KCNN1 | |
| SCHEMBL30872069 | 0.77 | GSK3B (0.61) | GSK3BCDK2CCNE1KCNN3KCNN1 | |
| SCHEMBL12953620 | 0.76 | GSK3B (0.47) | GSK3BCDK2CCNE1KCNN3KCNN1 | |
| SCHEMBL12953785 | 0.75 | GSK3B (0.47) | GSK3BCDK2CCNE1KCNN3KCNN1 | |
| SCHEMBL12953609 | 0.75 | GSK3B (0.47) | GSK3BCDK2CCNE1KCNN3KCNN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1931677-B1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-04-20 | — | — | EP | disclosed |
| WO-2007044449-A2 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORPORATION (US) | 2007-04-19 | — | — | WO | disclosed |