SCHEMBL16095353

SCHEMBL16095353

N#Cc1ccnc(-c2nc[nH]c2Cc2ccc(F)c3ccccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 10/20 0.35
▸ KCNH2 Q12809 5/20 0.35
▸ KCNK3 O14649 1/20 0.33
▸ TDO2 P48775 1/20 0.32
▸ KDM4C Q9H3R0 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MPO P05164 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
SCHEMBL17604615 0.78 NPY5R (0.44) NPY5RKCNH2
SCHEMBL16095455 0.77 CYP19A1 (0.38) NPY5RKCNH2KCNK3KDM4C
SCHEMBL16095270 0.77 KDM4C (0.44) NPY5RKCNH2KCNK3KDM4C
SCHEMBL16100476 0.77 MAPK14 (0.41) NPY5RKCNH2
SCHEMBL16094947 0.76 KDM4C (0.45) KDM4C
SCHEMBL16100266 0.75 IDH1 (0.36) NPY5RKCNH2KDM4CLMNA
SCHEMBL16102462 0.74 NPY5R (0.38) NPY5RKCNH2KCNK3KDM4CHPGD
SCHEMBL17604548 0.74 NPY5R (0.38) NPY5RKCNH2KDM4C
SCHEMBL16094914 0.72 HRH3 (0.36) NPY5RKCNH2KDM4C
SCHEMBL16095290 0.70 DYRK1A (0.40) KDM4C

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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