SCHEMBL16095837

SCHEMBL16095837

N#Cc1ccnc(-c2nc[nH]c2CC(Br)c2ccccc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.36
▸ KCNH2 Q12809 2/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ TYK2 P29597 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
SCHEMBL16095178 0.84 KDM4C (0.36) KDM4CKCNH2KCNA5GRM5
SCHEMBL16095604 0.82 KDM4C (0.36) KDM4CKCNH2GRM5JAK2TYK2
SCHEMBL17604548 0.76 NPY5R (0.38) KDM4CKCNH2GRM5
SCHEMBL16100266 0.72 IDH1 (0.36) KDM4CKCNH2GRM5
SCHEMBL16100476 0.70 MAPK14 (0.41) KCNH2
SCHEMBL16095481 0.69 KDM4C (0.57) KDM4C
SCHEMBL16094914 0.69 HRH3 (0.36) KDM4CKCNH2
SCHEMBL16033875 0.69 NPY5R (0.38) KDM4CKCNH2GRM5
SCHEMBL17604615 0.68 NPY5R (0.44) KCNH2
SCHEMBL16095353 0.67 NPY5R (0.35) KDM4CKCNH2

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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