SCHEMBL16094741

SCHEMBL16094741

N#Cc1ccnc(-c2nc(CC3CC3)[nH]c2-c2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.48
▸ ALOX5 P09917 2/20 0.43
▸ MAPK13 O15264 1/20 0.43
▸ GCGR P47871 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ GSK3B P49841 4/20 0.42
▸ GSK3A P49840 2/20 0.41
▸ NPY5R Q15761 6/20 0.41
▸ KCNH2 Q12809 5/20 0.41
▸ KDM1A O60341 1/20 0.38

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
SCHEMBL16095191 0.90 MAPK14 (0.39) MAPK14MAPK13GCGRMAPK12MAPK11
SCHEMBL16095224 0.83 MAPK14 (0.48) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL16094974 0.80 KDM4C (0.56) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL16094449 0.80 USP30 (0.36) MAPK14NPY5RKCNH2KDM1A
SCHEMBL17604614 0.79 MAPK14 (0.46) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL16096065 0.78 KDM4C (0.60) MAPK14GSK3BGSK3A
SCHEMBL16095105 0.78 MAPK14 (0.46) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL16095914 0.78 MAPK14 (0.50) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL1387719 0.75 MAPK14 (0.62) MAPK14ALOX5MAPK13GCGRMAPK12
SCHEMBL1387759 0.74 MAPK14 (0.55) MAPK14ALOX5MAPK13GCGRMAPK12

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-2969007-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
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