SCHEMBL6971736

SCHEMBL6971736

Cc1ccc(O)c(C)c1-c1nc(-c2ccncc2)c(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.62
MAPK12 P53778 12/20 0.62
MAPK11 Q15759 12/20 0.62
MAPK14 Q16539 12/20 0.62
GCGR P47871 11/20 0.62
RAF1 P04049 5/20 0.57
ALOX5 P09917 3/20 0.51
BRAF P15056 5/20 0.49
KDM4E B2RXH2 1/20 0.47
CIT O14578 1/20 0.47
GAK O14976 1/20 0.47
RIPK2 O43353 1/20 0.47
BRD4 O60885 1/20 0.47
GMNN O75496 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8792567 0.87 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL8791623 0.86 MAPK14 (0.62) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL27474617 0.86 MAPK14 (0.62) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL8793434 0.85 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6960497 0.85 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL8792345 0.84 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL5184633 0.84 MAPK14 (0.70) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL8791555 0.84 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6960007 0.81 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6961281 0.81 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14GCGR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797575-B1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2003-10-15 EP claimed
US-5959113-A REACTING A DIKETONE DERIVATIVE WITH AN ALDEHYDE DERIVATIVE; ADMINISTERING TO TREAT ATHEROSCLEROSIS, PSORIASIS, ALOPECIA AND TUMORS HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US claimed
EP-0797575-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1997-10-01 EP claimed
WO-1996018626-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1996-06-20 WO claimed
EP-0797575-B1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2003-10-15 EP disclosed
US-5959113-A REACTING A DIKETONE DERIVATIVE WITH AN ALDEHYDE DERIVATIVE; ADMINISTERING TO TREAT ATHEROSCLEROSIS, PSORIASIS, ALOPECIA AND TUMORS HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
EP-0797575-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1997-10-01 EP disclosed
WO-1996018626-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1996-06-20 WO disclosed