Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 4/20 | 0.61 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.61 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.61 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.61 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.54 |
| ▸ | PRKCA | P17252 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 2/20 | 0.53 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.53 |
| ▸ | PLK1 | P53350 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 4/20 | 0.52 |
| ▸ | GSK3B | P49841 | 3/20 | 0.52 |
| ▸ | CDK4 | P11802 | 3/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.52 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | IKBKB | O14920 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL31060885 | 0.89 | CCNB2 (0.62) | CDK1CCNB2CCNB1CCNB3KDR | |
| SCHEMBL3605758 | 0.87 | FADS1 (0.62) | PRKCDABL1EGFRPRKCAPLK1 | |
| SCHEMBL7474541 | 0.86 | RET (0.50) | CDK1CCNB2CCNB1CCNB3KDR | |
| SCHEMBL7462357 | 0.86 | CDK1 (0.65) | CDK1CCNB2CCNB1CCNB3ABL1 | |
| SCHEMBL12783520 | 0.82 | DYRK1A (0.48) | CDK1CCNB2CCNB1CCNB3KDR | |
| SCHEMBL31588329 | 0.76 | CCNB2 (0.76) | CDK1CCNB2CCNB1CCNB3PRKCD | |
| SCHEMBL144954 | 0.76 | CCNB2 (0.76) | CDK1CCNB2CCNB1CCNB3PRKCD | |
| SCHEMBL2544992 | 0.76 | CCNB2 (1.00) | CDK1CCNB2CCNB1CCNB3CDK2 | |
| SCHEMBL1593016 | 0.76 | PRKCD (0.79) | CDK1CCNB2CCNB1CCNB3PRKCD | |
| SCHEMBL27444164 | 0.76 | CDK2 (0.58) | CDK1CCNB2CCNB1CCNB3PRKCD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0233461-B2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 2002-05-29 | — | — | EP | claimed |
| EP-0233461-B1 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 1996-03-20 | — | — | EP | claimed |
| EP-0233461-B2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 2002-05-29 | — | — | EP | disclosed |