Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK7 | P50613 | 1/20 | 0.36 |
| ▸ | CCNH | P51946 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.34 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.34 |
| ▸ | CSNK1E | P49674 | 3/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3850113 | 0.90 | SMN1; SMN2 (0.38) | CDK1CDK4CCNB1CCNA2CCND1 | |
| SCHEMBL3846676 | 0.90 | ADORA2A (0.36) | CDK1CDK4CCNB1CCNA2CCND1 | |
| SCHEMBL3845543 | 0.84 | TGFBR1 (0.47) | SRCBRAFKDRTGFBR1ADORA2A | |
| SCHEMBL3849827 | 0.82 | TGFBR1 (0.39) | SMN1; SMN2TGFBR1MAPK13MAPK12MAPK11 | |
| SCHEMBL3849572 | 0.81 | CDK1 (0.30) | CDK1CDK4CCNB1CCNA2CCND1 | |
| SCHEMBL3847945 | 0.80 | SMN1; SMN2 (0.34) | CDK1CDK4CCNB1CCNA2CCND1 | |
| SCHEMBL3846702 | 0.78 | RORC (0.39) | TGFBR1CSNK1DCSNK1EMAPK13MAPK12 | |
| SCHEMBL19806602 | 0.77 | TGFBR1 (0.37) | CDK1CDK4CCNB1CCNA2CCND1 | |
| SCHEMBL3847947 | 0.76 | KDR (0.38) | SMN1; SMN2KDRCSNK1DCSNK1EAKT1 | |
| SCHEMBL3851177 | 0.75 | TGFBR1 (0.47) | TGFBR1ADORA2AADORA2BADORA1CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |
| EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |