SCHEMBL6972913

SCHEMBL6972913

Nc1cccc(Cl)c1-c1nc(-c2ccncc2)c(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.65
MAPK13 O15264 14/20 0.65
MAPK12 P53778 14/20 0.65
MAPK11 Q15759 14/20 0.65
GCGR P47871 10/20 0.65
RAF1 P04049 6/20 0.63
TEK Q02763 1/20 0.56
CSNK1D P48730 1/20 0.54
CSNK1E P49674 1/20 0.54
MAPK9 P45984 1/20 0.50
ALOX5 P09917 1/20 0.49

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
SCHEMBL8475925 1.00 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5183702 0.91 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6961281 0.88 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5921854 0.88 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8792749 0.85 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8791747 0.85 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5184633 0.84 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8792402 0.82 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8791832 0.82 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4413641 0.82 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11GCGR

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 5 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
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