SCHEMBL16096065

SCHEMBL16096065

Fc1ccc(-c2[nH]c(CC3CC3)nc2-c2cc(-c3nn[nH]n3)ccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 15/20 0.60
▸ KDM5A P29375 2/20 0.50
▸ KDM2B Q8NHM5 3/20 0.43
▸ MAPK14 Q16539 4/20 0.42
▸ GSK3B P49841 3/20 0.42
▸ GSK3A P49840 2/20 0.41
▸ KDM5B Q9UGL1 1/20 0.40
▸ KDM4A O75164 1/20 0.39

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
SCHEMBL16095315 0.90 KDM4C (0.60) KDM4CKDM5AKDM2BKDM5BKDM4A
SCHEMBL16103402 0.84 KDM4C (0.59) KDM4CKDM5AKDM2BKDM5BKDM4A
SCHEMBL16094728 0.80 KDM4C (0.64) KDM4CKDM5AKDM2BMAPK14GSK3B
SCHEMBL16094861 0.80 KDM4C (0.62) KDM4CKDM5AKDM2BMAPK14GSK3B
SCHEMBL16094974 0.79 KDM4C (0.56) KDM4CKDM5AKDM2BMAPK14GSK3B
SCHEMBL16094741 0.78 MAPK14 (0.48) MAPK14GSK3BGSK3A
SCHEMBL16032983 0.75 KDM4C (1.00) KDM4CKDM5AKDM2BMAPK14
SCHEMBL1387719 0.74 MAPK14 (0.62) MAPK14GSK3B
SCHEMBL16095130 0.74 KDM4C (0.69) KDM4CKDM5AKDM2BKDM5B
SCHEMBL1387759 0.73 MAPK14 (0.55) MAPK14GSK3BGSK3A

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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