Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 7/20 | 0.62 |
| ▸ | CA1 | P00915 | 6/20 | 0.59 |
| ▸ | CA2 | P00918 | 6/20 | 0.59 |
| ▸ | CA9 | Q16790 | 6/20 | 0.59 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | BRAF | P15056 | 1/20 | 0.50 |
| ▸ | DKK1 | O94907 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | CDK7 | P50613 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | CCNH | P51946 | 1/20 | 0.46 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1633690 | 0.89 | IKBKB (0.57) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1632888 | 0.85 | IKBKB (0.50) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1633099 | 0.85 | IKBKB (0.65) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1571219 | 0.83 | IKBKB (0.48) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL27780313 | 0.81 | IKBKB (0.50) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1634576 | 0.81 | IKBKB (0.58) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1634963 | 0.80 | BRAF (0.67) | BRAF | |
| SCHEMBL1633261 | 0.80 | IKBKB (0.55) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1633423 | 0.79 | IKBKB (0.63) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL1631544 | 0.79 | CDK1 (0.51) | IKBKBCA1CA2CA9CA12 |
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 |