Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 4/20 | 0.35 |
| ▸ | CSNK1E | P49674 | 4/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | BRAF | P15056 | 4/20 | 0.34 |
| ▸ | RAF1 | P04049 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3849569 | 0.90 | CDK1 (0.36) | ADORA2ACDK1CDK4CCNB1CCNA2 | |
| SCHEMBL3850113 | 0.88 | SMN1; SMN2 (0.38) | ADORA2ACDK1CDK4CCNB1CCNA2 | |
| SCHEMBL3846680 | 0.83 | ADORA2A (0.30) | ADORA2ABRAFRAF1 | |
| SCHEMBL3845543 | 0.82 | TGFBR1 (0.47) | ADORA2ABRAFTGFBR1SRCKDR | |
| SCHEMBL3846702 | 0.82 | RORC (0.39) | ADORA2ACSNK1DCSNK1EMAPK13MAPK12 | |
| SCHEMBL3848664 | 0.80 | PTGS2 (0.32) | CDK1CDK4CCNB1CCNA2CCND1 | |
| SCHEMBL3849827 | 0.78 | TGFBR1 (0.39) | ADORA2AMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL3847154 | 0.77 | KDR (0.37) | CSNK1DCSNK1EMAPK13MAPK12MAPK11 | |
| SCHEMBL3849572 | 0.74 | CDK1 (0.30) | CDK1CDK4CCNB1CCNA2CCND1 | |
| SCHEMBL3850115 | 0.73 | SMN1; SMN2 (0.32) | BRAFNPC1NFKB1RAB9ANFKB2 |
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 |