Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 3/20 | 0.43 |
| ▸ | STK4 | Q13043 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 8/20 | 0.39 |
| ▸ | CDK1 | P06493 | 6/20 | 0.39 |
| ▸ | CDK9 | P50750 | 6/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.39 |
| ▸ | CDK4 | P11802 | 3/20 | 0.39 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.37 |
| ▸ | CDK7 | P50613 | 3/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.37 |
| ▸ | CCND1 | P24385 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13498359 | 0.88 | PDE5A (0.45) | PDE5ASTK4CA2CDK2CDK1 | |
| SCHEMBL1633936 | 0.85 | TBK1 (0.47) | — | |
| SCHEMBL1633774 | 0.85 | STK4 (0.41) | PDE5ASTK4CA2CDK2CDK1 | |
| SCHEMBL1632946 | 0.83 | IKBKB (0.45) | PDE5ASTK4CA2CDK2CDK1 | |
| SCHEMBL1871929 | 0.81 | CA2 (0.49) | PDE5ASTK4CA2CDK2CDK1 | |
| SCHEMBL1631022 | 0.81 | JAK2 (0.54) | PDE5ASTK4CA2CDK2CDK1 | |
| SCHEMBL1633346 | 0.80 | CDK2 (0.43) | PDE5ASTK4CA2CDK2CDK1 | |
| SCHEMBL12725011 | 0.77 | TBK1 (0.56) | — | |
| SCHEMBL13251853 | 0.76 | CA2 (0.51) | CA2CDK2CDK1CDK9CCNA2 | |
| SCHEMBL1633471 | 0.75 | CDK2 (0.47) | CDK2CDK1CDK9CCNA2CDK4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |