SCHEMBL16095120

SCHEMBL16095120

Cc1nc(-c2cc(C#N)ccn2)c(-c2ccc(C3(C(F)(F)F)CC3)cc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.41
▸ NPY5R Q15761 9/20 0.38
▸ KCNH2 Q12809 5/20 0.38
▸ PDE2A O00408 2/20 0.38
▸ MAPK14 Q16539 4/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ FASN P49327 2/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ SIGMAR1 Q99720 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 0.82 MAPK14 (0.46) NPY5RKCNH2MAPK14GSK3B
SCHEMBL16094913 0.79 MAPK14 (0.39) KDM4CMAPK14GSK3B
SCHEMBL16095288 0.78 KMT2A (0.43) MAPK14GSK3B
SCHEMBL16034033 0.77 KDM4C (0.68) KDM4C
SCHEMBL16095454 0.75 MAPK14 (0.41) KDM4CNPY5RKCNH2MAPK14GSK3B
SCHEMBL17604545 0.69 NPY5R (0.37) KDM4CNPY5RKCNH2USP30
SCHEMBL16095224 0.69 MAPK14 (0.48) NPY5RKCNH2MAPK14GSK3B
SCHEMBL16094945 0.69 KDM4C (0.51) KDM4CMAPK14
SCHEMBL16095479 0.67 KDM4C (0.65) KDM4CMAPK14
SCHEMBL16094741 0.65 MAPK14 (0.48) NPY5RKCNH2MAPK14GSK3B

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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