Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 6/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.41 |
| ▸ | CDK7 | P50613 | 2/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1633835 | 0.85 | IKBKB (0.47) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1633031 | 0.85 | FGFR4 (0.47) | IKBKBCA1CA2CA9CDK2 | |
| SCHEMBL1632397 | 0.83 | TBK1 (0.57) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1632711 | 0.83 | CA2 (0.46) | IKBKBCA1CA2CA9CDK2 | |
| SCHEMBL1632154 | 0.80 | CDK2 (0.46) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1631354 | 0.80 | TYK2 (0.54) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1633709 | 0.79 | SYK (0.47) | IKBKBCA2CDK2CCNE1CCNT1 | |
| SCHEMBL1633356 | 0.78 | CDK1 (0.44) | IKBKBCA2CDK2CDK1CDK9 | |
| SCHEMBL1633514 | 0.78 | CDK1 (0.44) | IKBKBCA2CDK2CDK1CDK9 | |
| SCHEMBL1633354 | 0.78 | CDK1 (0.44) | IKBKBCA2CDK2CDK1CDK9 |
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 |