Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | QPCT | Q16769 | 1/20 | 0.43 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.43 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2938674 | 0.82 | JAK2 (0.54) | CDK5CDK5R1CYP3A4FFAR2ALDH1A1 | |
| SCHEMBL4008997 | 0.75 | JAK2 (0.69) | CDK5MAPK1NUDT1LRRK2PIM1 | |
| Adenine SCHEMBL1134804 | 0.74 | PI4KB (0.43) | MAPK1CYP3A4QPCTQPCTLCYP1A2 | |
| SCHEMBL28780888 | 0.74 | JAK2 (0.36) | CYP3A4KDM4EMAPT | |
| SCHEMBL30850661 | 0.73 | KDM4C (0.59) | MAPK1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17017484 | 0.73 | KDM4C (0.59) | MAPK1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28668955 | 0.72 | MTOR (0.43) | CDK5LRRK2PIM1PIK3CDABL1 | |
| SCHEMBL11004734 | 0.72 | LMNA (0.46) | CDK5CDK5R1MAPK1CYP2A6CYP3A4 | |
| SCHEMBL30527139 | 0.72 | KDM4A (0.55) | CDK5CDK5R1CYP2A6LRRK2PIM1 | |
| SCHEMBL17364297 | 0.71 | ULK1 (0.44) | CDK5CDK5R1MAPK1ALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2647637-B1 | PURINYLPYRIDINYLAMINO-2,4-DIFLUOROPHENYL SULFONAMIDE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION WITH INHIBITORY ACTIVITY AGAINST RAF KINASE, CONTAINING SAME AS ACTIVE INGREDIENT | MEDPACTO INC (KR) | 2016-02-03 | — | — | EP | disclosed |