SCHEMBL16094450

SCHEMBL16094450

N#Cc1ccnc(-c2nc[nH]c2C(Br)C2CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 10/20 0.34
▸ KCNH2 Q12809 6/20 0.34
▸ MAP3K12 Q12852 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ USP30 Q70CQ3 3/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ PRKD1 Q15139 1/20 0.30
▸ PRKD2 Q9BZL6 1/20 0.30
▸ UCHL1 P09936 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
SCHEMBL16095192 0.81 MGLL (0.38) NPY5RKCNH2MAP3K12MGLLUSP30
SCHEMBL16095272 0.79 NPY5R (0.35) NPY5RKCNH2
SCHEMBL16033875 0.74 NPY5R (0.38) NPY5RKCNH2USP30
SCHEMBL16095604 0.74 KDM4C (0.36) NPY5RKCNH2LRRK2
SCHEMBL17604548 0.71 NPY5R (0.38) NPY5RKCNH2USP30
SCHEMBL16095225 0.70 NPY5R (0.41) NPY5RKCNH2
SCHEMBL9792784 0.66 NPY5R (0.45) NPY5RKCNH2USP30
SCHEMBL29500425 0.66 NPY5R (0.45) NPY5RKCNH2USP30
SCHEMBL16095837 0.65 KDM4C (0.36) KCNH2
SCHEMBL29761043 0.65 CDC7 (0.47) LRRK2

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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