Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 3/20 | 0.57 |
| ▸ | CA9 | Q16790 | 5/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | EGFR | P00533 | 2/20 | 0.53 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.53 |
| ▸ | STK4 | Q13043 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 3/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1633099 | 0.93 | IKBKB (0.65) | IKBKBCA9CA1CA2CA12 | |
| SCHEMBL1634724 | 0.89 | IKBKB (0.62) | IKBKBCA9CA1CA2CA12 | |
| SCHEMBL1633112 | 0.85 | BRD4 (0.56) | IKBKBEGFRCDK2CDK1CCNA2 | |
| SCHEMBL1633814 | 0.84 | EGFR (0.55) | IKBKBCA9CA1CA2CA12 | |
| SCHEMBL6768234 | 0.82 | IKBKB (0.49) | IKBKBCA9CA1CA2CA12 | |
| SCHEMBL1632888 | 0.82 | IKBKB (0.50) | IKBKBCA9CA1CA2CA12 | |
| SCHEMBL27780313 | 0.80 | IKBKB (0.50) | IKBKBCA9CA1CA2CA12 | |
| SCHEMBL1633891 | 0.80 | IKBKB (0.54) | IKBKBCA9CA1CA2CA12 | |
| SCHEMBL1634963 | 0.79 | BRAF (0.67) | BRAF | |
| SCHEMBL1571331 | 0.78 | PDE5A (0.57) | IKBKBCA9CA1CA2CA12 |
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 |