Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMG1 | Q96Q15 | 4/20 | 0.62 |
| ▸ | MTOR | P42345 | 3/20 | 0.62 |
| ▸ | JAK2 | O60674 | 3/20 | 0.57 |
| ▸ | BRD4 | O60885 | 2/20 | 0.57 |
| ▸ | CDK1 | P06493 | 2/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.50 |
| ▸ | EGFR | P00533 | 2/20 | 0.49 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 2/20 | 0.47 |
| ▸ | IKBKB | O14920 | 2/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.45 |
| ▸ | CLK3 | P49761 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | BMPR2 | Q13873 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12724192 | 0.90 | SMG1 (0.54) | SMG1MTORJAK2BRD4CDK1 | |
| SCHEMBL1631108 | 0.90 | SMG1 (0.70) | SMG1MTORJAK2CDK1CDK2 | |
| SCHEMBL1633192 | 0.88 | JAK2 (0.55) | SMG1MTORJAK2BRD4CDK1 | |
| SCHEMBL1632115 | 0.85 | JAK2 (0.66) | JAK2BRD4CDK1CDK2EGFR | |
| SCHEMBL1633189 | 0.85 | SMG1 (0.50) | SMG1MTORJAK2BRD4CDK1 | |
| SCHEMBL1633026 | 0.84 | SMG1 (0.59) | SMG1MTORJAK2CDK1CDK2 | |
| SCHEMBL1860937 | 0.84 | SMG1 (0.59) | SMG1MTORJAK2CDK1CDK2 | |
| SCHEMBL1632522 | 0.81 | DKK1 (0.51) | CDK1CDK2IKBKBCA12CA1 | |
| SCHEMBL1633187 | 0.81 | MTOR (0.60) | SMG1MTORJAK2BRD4CDK2 | |
| SCHEMBL1631949 | 0.80 | DKK1 (0.50) | CDK1CDK2AURKAIKBKBCDK4 |
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 |