Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 16/20 | 0.51 |
| ▸ | CA2 | P00918 | 16/20 | 0.51 |
| ▸ | CA9 | Q16790 | 16/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1632814 | 0.84 | CDK2 (0.52) | CA1CA2CA9CA12CA14 | |
| SCHEMBL1633703 | 0.79 | AURKA (0.48) | CA1CA2CDK2CDK5 | |
| SCHEMBL1632131 | 0.78 | BMPR2 (0.52) | CDK2CDK5CDK5R1 | |
| SCHEMBL1633395 | 0.74 | CDK2 (0.49) | CDK2CDK5CDK5R1 | |
| SCHEMBL1633872 | 0.74 | CDK2 (0.52) | CA1CA2CA9CA12CA14 | |
| SCHEMBL1631342 | 0.72 | CDK2 (0.45) | CDK2 | |
| SCHEMBL1634282 | 0.70 | ACVR1 (0.52) | CDK2CDK5 | |
| SCHEMBL14146552 | 0.70 | CDK2 (0.50) | CA1CA2CA9CA12CA14 | |
| SCHEMBL1632354 | 0.69 | PKM (0.43) | CDK2 | |
| SCHEMBL31400282 | 0.69 | JAK2 (0.45) | NPC1KDM4EMAPTRAB9A |
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 |