Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CDK7 | P50613 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | CCNH | P51946 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4875493 | 0.77 | ALDH1A1 (0.53) | ALDH1A1KDM4ECDK2CDK1RXFP1 | |
| SCHEMBL27695978 | 0.76 | CDK2 (0.47) | ALDH1A1KDM4ECDK2RXFP1PIM1 | |
| SCHEMBL29452971 | 0.75 | ALDH1A1 (0.63) | ALDH1A1KDM4ECDK2CDK1RXFP1 | |
| SCHEMBL4924100 | 0.74 | KDM4E (0.48) | ALDH1A1KDM4ECDK2 | |
| SCHEMBL503815 | 0.73 | PARP1 (0.48) | ALDH1A1KDM4ECDK2CDK1RXFP1 | |
| SCHEMBL6385068 | 0.73 | QPCT (0.50) | ALDH1A1KDM4ECDK2PIM1ADORA2A | |
| SCHEMBL680856 | 0.71 | CDK2 (0.55) | ALDH1A1KDM4ECDK2RXFP1ADORA2A | |
| SCHEMBL29906262 | 0.71 | ALDH1A1 (0.54) | ALDH1A1KDM4ECDK2RXFP1PAK1 | |
| Hydrochloric Acid SCHEMBL4456682 | 0.70 | CDK2 (0.54) | ALDH1A1KDM4ECDK2RXFP1ADORA2A | |
| SCHEMBL1732673 | 0.69 | MKNK1 (0.44) | CDK2MKNK1MKNK2CDK1MAP4K4 |
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-3412670-B1 | PYRIDINE DERIVATIVES INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND USE THEREOF | SAMJIN PHARM CO LTD (KR) | 2022-03-09 | — | — | EP | disclosed |
| CN-106243047-B | The double aryl ureas of quinokysalines with VEGFR-2 and B-raf double inhibition effect and its derivative, preparation method and applications | 江苏神华药业有限公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-106243047-A | There are the double aryl ureas of quinokysalines and derivant, the preparation method and applications of VEGFR 2 and B raf double inhibition effect | 江苏神华药业有限公司 | 2016-12-21 | — | — | CN | disclosed |