SCHEMBL16095454

SCHEMBL16095454

Cc1nc(-c2cc(C#N)ccn2)c(-c2ccc(F)c(O)c2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.41
▸ GSK3B P49841 5/20 0.41
▸ TGFBR1 P36897 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.37
▸ TGFBR2 P37173 1/20 0.35
▸ NPY5R Q15761 6/20 0.35
▸ KCNH2 Q12809 4/20 0.35
▸ HSD17B14 Q9BPX1 1/20 0.34
▸ MAPK13 O15264 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33

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
SCHEMBL17604614 0.85 MAPK14 (0.46) MAPK14GSK3BNPY5RKCNH2MAPK13
SCHEMBL16094913 0.80 MAPK14 (0.39) MAPK14GSK3BTGFBR1KDM4CTGFBR2
SCHEMBL16094945 0.80 KDM4C (0.51) MAPK14TGFBR1KDM4CMAPK13MAPK12
SCHEMBL16095288 0.79 KMT2A (0.43) MAPK14GSK3BMAPK13ALOX5GCGR
SCHEMBL16095120 0.75 KDM4C (0.41) MAPK14GSK3BKDM4CNPY5RKCNH2
SCHEMBL16033412 0.75 KDM4C (0.61) KDM4C
SCHEMBL17604545 0.72 NPY5R (0.37) KDM4CNPY5RKCNH2
SCHEMBL16095479 0.72 KDM4C (0.65) MAPK14KDM4C
SCHEMBL16102461 0.69 KDM4C (0.42) MAPK14KDM4CNPY5RKCNH2MAPK13
SCHEMBL16095268 0.68 KDM4C (0.45) MAPK14KDM4C

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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