SCHEMBL5196144

SCHEMBL5196144

CCn1c(-c2ccccc2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.Clc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 17/20 0.68
MAPK12 P53778 17/20 0.68
MAPK11 Q15759 17/20 0.68
MAPK14 Q16539 17/20 0.68
RAF1 P04049 7/20 0.68
GCGR P47871 11/20 0.67
MAPK9 P45984 1/20 0.56
BRAF P15056 2/20 0.53
ALOX5 P09917 1/20 0.53

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
SCHEMBL5198712 0.88 TEK (0.48) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5921859 0.82 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469111 0.82 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5199957 0.82 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL28008186 0.81 MEN1 (0.51) MAPK13MAPK12MAPK11MAPK14GCGR
Methyl Alcohol SCHEMBL27727314 0.79 FABP4 (0.53) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5197416 0.79 MEN1 (0.54) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5200686 0.78 KDM4E (0.49) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2649730 0.78 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6471005 0.78 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed