Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 13/20 | 0.48 |
| ▸ | CDK1 | P06493 | 12/20 | 0.48 |
| ▸ | CDK2 | P24941 | 12/20 | 0.48 |
| ▸ | SYK | P43405 | 2/20 | 0.47 |
| ▸ | CDK4 | P11802 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CDK7 | P50613 | 2/20 | 0.46 |
| ▸ | CDK9 | P50750 | 2/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.46 |
| ▸ | CCND1 | P24385 | 1/20 | 0.46 |
| ▸ | CCNH | P51946 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 3/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | NEK2 | P51955 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | STK17B | O94768 | 1/20 | 0.41 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4065488 | 0.88 | CDK1 (0.62) | KDRCDK1CDK2CDK4CA2 | |
| Hydrochloric Acid SCHEMBL2444643 | 0.80 | AURKA (0.44) | KDRCDK1CDK2CDK4CA2 | |
| SCHEMBL4063041 | 0.76 | CDK1 (0.77) | KDRCDK1CDK2CDK4CA2 | |
| SCHEMBL4062176 | 0.75 | CDK1 (0.63) | KDRCDK1CDK2CDK4CA2 | |
| SCHEMBL1937120 | 0.74 | JAK3 (0.47) | SYKEGFR | |
| SCHEMBL1916775 | 0.74 | STK17A (0.51) | SYKSTK17BSTK17A | |
| SCHEMBL29832995 | 0.71 | PTK2 (0.59) | CDK7CDK9AXLAURKAAURKB | |
| SCHEMBL4065206 | 0.71 | CDK1 (0.62) | KDRCDK1CDK2CDK4CA2 | |
| SCHEMBL1474421 | 0.71 | BCL6 (0.63) | KDRSYKAURKAAURKBEGFR | |
| SCHEMBL1935476 | 0.70 | KDM4E (0.45) | CDK2SYKSTK17BSTK17A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2330904-A2 | 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010025863-A2 | 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |