Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.70 |
| ▸ | GSK3B | P49841 | 2/20 | 0.70 |
| ▸ | DKK1 | O94907 | 1/20 | 0.70 |
| ▸ | CDK2 | P24941 | 15/20 | 0.66 |
| ▸ | CDK4 | P11802 | 10/20 | 0.66 |
| ▸ | CDK1 | P06493 | 5/20 | 0.66 |
| ▸ | CDK9 | P50750 | 5/20 | 0.66 |
| ▸ | CDK7 | P50613 | 4/20 | 0.66 |
| ▸ | AURKA | O14965 | 4/20 | 0.66 |
| ▸ | PLK1 | P53350 | 4/20 | 0.53 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.50 |
| ▸ | SRC | P12931 | 2/20 | 0.50 |
| ▸ | SYK | P43405 | 2/20 | 0.50 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.48 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.48 |
| ▸ | CCNH | P51946 | 1/20 | 0.48 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7475790 | 0.83 | IKBKB (0.64) | IKBKBGSK3BDKK1CDK2CDK4 | |
| SCHEMBL13167604 | 0.83 | GSK3B (0.64) | IKBKBGSK3BDKK1CDK2CDK4 | |
| SCHEMBL14378961 | 0.82 | CDK2 (0.74) | IKBKBGSK3BDKK1CDK2CDK4 | |
| SCHEMBL7475925 | 0.81 | IKBKB (0.65) | IKBKBGSK3BDKK1AURKAPLK1 | |
| SCHEMBL2075942 | 0.80 | CDK2 (1.00) | CDK2CDK4CDK1CDK9CDK7 | |
| SCHEMBL3519328 | 0.79 | IKBKB (0.91) | IKBKBGSK3BDKK1CDK2CDK4 | |
| SCHEMBL7473582 | 0.78 | CDK2 (0.65) | IKBKBGSK3BDKK1CDK2CDK4 | |
| SCHEMBL13154300 | 0.78 | GSK3B (0.57) | IKBKBGSK3BDKK1CDK2CDK4 | |
| SCHEMBL19575358 | 0.77 | AURKA (0.57) | IKBKBCDK2CDK4CDK1CDK9 | |
| SCHEMBL6158084 | 0.77 | CDK2 (0.78) | GSK3BCDK2CDK4CDK1CDK9 |
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-0233461-B2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-0233461-B1 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 1996-03-20 | — | — | EP | disclosed |