SCHEMBL16094914

SCHEMBL16094914

C#Cc1ccc(Cc2[nH]cnc2-c2cc(C#N)ccn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CDC7 O00311 2/20 0.33
▸ DBF4 Q9UBU7 2/20 0.33
▸ NPY5R Q15761 6/20 0.32
▸ KCNH2 Q12809 5/20 0.32
▸ KDM4C Q9H3R0 3/20 0.32
▸ MAP3K14 Q99558 1/20 0.31
▸ TRIM24 O15164 1/20 0.31
▸ METAP2 P50579 1/20 0.30
▸ METAP1 P53582 1/20 0.30

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
SCHEMBL16100266 0.87 IDH1 (0.36) HRH3CDC7DBF4NPY5RKCNH2
SCHEMBL17604615 0.87 NPY5R (0.44) HRH3NPY5RKCNH2
SCHEMBL16095290 0.84 DYRK1A (0.40) KDM4C
SCHEMBL16095455 0.80 CYP19A1 (0.38) HRH3NPY5RKCNH2KDM4C
SCHEMBL16100476 0.79 MAPK14 (0.41) HRH3CDC7DBF4NPY5RKCNH2
SCHEMBL17604548 0.78 NPY5R (0.38) HRH3CDC7DBF4NPY5RKCNH2
SCHEMBL16094947 0.74 KDM4C (0.45) KDM4C
SCHEMBL16095481 0.74 KDM4C (0.57) KDM4C
SCHEMBL16095353 0.72 NPY5R (0.35) NPY5RKCNH2KDM4C
SCHEMBL16033875 0.71 NPY5R (0.38) CDC7DBF4NPY5RKCNH2KDM4C

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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