Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 7/20 | 0.53 |
| ▸ | CDK2 | P24941 | 6/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.45 |
| ▸ | TRPC3 | Q13507 | 2/20 | 0.43 |
| ▸ | TRPC7 | Q9HCX4 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12953454 | 0.93 | CDK2 (0.54) | GSK3BCDK2CCNA2CCNA1TRPC3 | |
| SCHEMBL12953650 | 0.88 | GSK3B (0.54) | GSK3BCDK2TRPC3TRPC7GRIN2B | |
| SCHEMBL12953929 | 0.88 | GSK3B (0.71) | GSK3BCDK2CCNE1 | |
| SCHEMBL12953550 | 0.87 | GSK3B (0.52) | GSK3BCDK2TRPC3TRPC7GRIN2B | |
| SCHEMBL13118082 | 0.87 | GSK3B (0.51) | GSK3BCDK2CCNA2CCNA1TRPC3 | |
| SCHEMBL12953476 | 0.86 | GSK3B (0.52) | GSK3BCDK2CCNA2CCNA1TRPC3 | |
| SCHEMBL12954207 | 0.85 | GSK3B (0.51) | GSK3BCDK2CCNA2CCNA1TRPC3 | |
| SCHEMBL12954092 | 0.84 | GSK3B (0.49) | GSK3BTRPC3TRPC7GRIN2BCYP2D6 | |
| SCHEMBL12953836 | 0.84 | GSK3B (0.70) | GSK3BCDK2CCNA2CCNA1CCNE1 | |
| SCHEMBL12954178 | 0.83 | GSK3B (0.49) | GSK3BCDK2TRPC3TRPC7CCNE1 |
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-1537116-B1 | PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES | SCHERING CORP (US) | 2010-06-02 | — | — | EP | disclosed |
| WO-2008130569-A1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORPORATION (US) | 2008-10-30 | — | — | WO | disclosed |