SCHEMBL16095225

SCHEMBL16095225

N#Cc1ccnc(-c2nc[nH]c2C(c2ccc(F)cc2)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 11/20 0.41
▸ KCNH2 Q12809 6/20 0.41
▸ CYP19A1 P11511 3/20 0.33
▸ PPARG P37231 1/20 0.31
▸ MAPK14 Q16539 2/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ KCNK3 O14649 1/20 0.31

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
SCHEMBL16095272 0.80 NPY5R (0.35) NPY5RKCNH2
SCHEMBL17604615 0.72 NPY5R (0.44) NPY5RKCNH2MAPK14
SCHEMBL16095192 0.70 MGLL (0.38) NPY5RKCNH2
SCHEMBL16094450 0.70 NPY5R (0.34) NPY5RKCNH2
SCHEMBL16033875 0.69 NPY5R (0.38) NPY5RKCNH2
SCHEMBL15104626 0.68 NPY5R (0.53) NPY5RKCNH2PPARGMAPK14
SCHEMBL16095604 0.67 KDM4C (0.36) NPY5RKCNH2
SCHEMBL17604548 0.66 NPY5R (0.38) NPY5RKCNH2
SCHEMBL16100476 0.65 MAPK14 (0.41) NPY5RKCNH2MAPK14
SCHEMBL16095455 0.64 CYP19A1 (0.38) NPY5RKCNH2CYP19A1MAPK14KCNK3

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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