Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 6/20 | 0.48 |
| ▸ | EGFR | P00533 | 6/20 | 0.47 |
| ▸ | SYK | P43405 | 2/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 4/20 | 0.41 |
| ▸ | CDK4 | P11802 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CDK7 | P50613 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CCNH | P51946 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6830002 | 1.00 | CDK1 (0.48) | CDK1EGFRSYKIGF1RAURKA | |
| SCHEMBL6829794 | 0.76 | CDK2 (0.64) | CDK1SYKIGF1RAURKACDK2 | |
| SCHEMBL6826387 | 0.76 | CDK2 (0.64) | CDK1SYKIGF1RAURKACDK2 | |
| SCHEMBL6829108 | 0.76 | CDK2 (0.64) | CDK1SYKIGF1RAURKACDK2 | |
| SCHEMBL6829254 | 0.76 | CDK4 (0.59) | CDK1EGFRSYKIGF1RAURKA | |
| SCHEMBL6829247 | 0.76 | CDK4 (0.59) | CDK1EGFRSYKIGF1RAURKA | |
| SCHEMBL6826392 | 0.71 | AURKA (0.67) | CDK1SYKIGF1RAURKACDK2 | |
| SCHEMBL6829175 | 0.70 | SYK (0.83) | CDK1SYKIGF1RAURKAGSK3B | |
| SCHEMBL28686694 | 0.69 | JAK2 (0.60) | — | |
| SCHEMBL28686695 | 0.69 | JAK2 (0.60) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004046118-A2 | 2-4-(DI-PHENYL-AMINO)-PYRIMIDINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-06-03 | — | — | WO | disclosed |