Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 7/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.40 |
| ▸ | STK4 | Q13043 | 2/20 | 0.40 |
| ▸ | STK3 | Q13188 | 2/20 | 0.40 |
| ▸ | IKBKB | O14920 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | CDK1 | P06493 | 4/20 | 0.39 |
| ▸ | CDK7 | P50613 | 3/20 | 0.39 |
| ▸ | CDK9 | P50750 | 3/20 | 0.39 |
| ▸ | KDR | P35968 | 3/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CCNH | P51946 | 2/20 | 0.39 |
| ▸ | CDK4 | P11802 | 2/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1632900 | 0.85 | BRAF (0.46) | CDK2CCNA2IKBKBCA2CDK1 | |
| SCHEMBL4793536 | 0.83 | IKBKB (0.41) | CDK2CCNA2STK4IKBKBCA2 | |
| SCHEMBL1632150 | 0.77 | CA2 (0.52) | CDK2CCNA2STK4IKBKBCA2 | |
| SCHEMBL1633856 | 0.76 | PTK2 (0.48) | CDK2STK4STK3IKBKBCA2 | |
| SCHEMBL13498245 | 0.72 | CDK2 (0.48) | CDK2CCNA2STK4IKBKBCA2 | |
| SCHEMBL1632511 | 0.71 | BRAF (0.48) | CDK2IKBKBCA2CDK1CDK7 | |
| SCHEMBL1632328 | 0.71 | CA2 (0.50) | CDK2CCNA2STK4IKBKBCA2 | |
| SCHEMBL1633586 | 0.70 | CA1 (0.51) | CDK2STK3IKBKBCA2CDK1 | |
| SCHEMBL1632503 | 0.70 | CDK2 (0.46) | CDK2CCNA2STK4IKBKBCA2 | |
| SCHEMBL1633821 | 0.69 | STK4 (0.52) | CDK2STK4IKBKBCA2CDK1 |
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-2007117607-A9 | QUINAZOLINES FOR PDK1 INHIBITION | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2008-03-06 | — | — | WO | disclosed |