Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 6/20 | 0.44 |
| ▸ | CDK9 | P50750 | 2/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | PAK4 | O96013 | 2/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.37 |
| ▸ | CDK1 | P06493 | 3/20 | 0.36 |
| ▸ | CDK7 | P50613 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 3/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722170 | 0.86 | CCNE1 (0.44) | CDK2CDK9CCNT1PLK4CCNE1 | |
| SCHEMBL3724956 | 0.85 | CDK2 (0.42) | CDK2CDK9CCNT1PAK4PLK4 | |
| SCHEMBL3720099 | 0.84 | CDK2 (0.56) | CDK2CDK9CCNT1CCNE1CDK5 | |
| SCHEMBL3717714 | 0.83 | CDK2 (0.42) | CDK2CDK9PAK4PLK4CCNE1 | |
| SCHEMBL3794940 | 0.80 | CDK2 (0.35) | CDK2CDK9CCNE1CDK5CDK1 | |
| SCHEMBL18396850 | 0.80 | CDK2 (0.44) | CDK2CDK9CCNT1CCNE1CDK5 | |
| SCHEMBL3721978 | 0.79 | CCNE1 (0.42) | CDK2CDK9CCNT1CCNE1CDK5 | |
| SCHEMBL3715540 | 0.79 | CDK2 (0.57) | CDK2CDK9CCNT1CCNE1CDK5 | |
| SCHEMBL3718107 | 0.77 | CDK2 (0.59) | CDK2CDK9CCNT1CCNE1CDK5 | |
| SCHEMBL2912272 | 0.76 | CDK2 (0.51) | CDK2CDK9CCNT1CCNE1CDK5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010139288-A1 | 5,7-DISUBSTITUTED 3-ISOPROPYLPYRAZOLO[4,3-D]PYRIMIDINES FOR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS | C3 BIO GMBH (DE) | 2010-12-09 | — | — | WO | disclosed |