SCHEMBL16094974

SCHEMBL16094974

O=C(O)c1ccnc(-c2nc(CC3CC3)[nH]c2-c2ccc(F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 10/20 0.56
▸ MAPK14 Q16539 8/20 0.48
▸ GSK3B P49841 6/20 0.48
▸ KDM5A P29375 4/20 0.47
▸ KDM5B Q9UGL1 3/20 0.47
▸ KDM4A O75164 2/20 0.47
▸ GSK3A P49840 2/20 0.47
▸ TGFBR1 P36897 2/20 0.44
▸ MAPK13 O15264 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44
▸ KDM2B Q8NHM5 1/20 0.43
▸ HTR2B P41595 1/20 0.42

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
SCHEMBL16095505 0.90 KDM4C (0.56) KDM4CMAPK14GSK3BKDM5AKDM5B
SCHEMBL16094741 0.80 MAPK14 (0.48) MAPK14GSK3BGSK3AMAPK13ALOX5
SCHEMBL16096065 0.79 KDM4C (0.60) KDM4CMAPK14GSK3BKDM5AKDM5B
SCHEMBL16094879 0.79 KDM4C (0.61) KDM4CMAPK14GSK3BKDM5AKDM5B
SCHEMBL1387719 0.74 MAPK14 (0.62) MAPK14GSK3BMAPK13ALOX5MAPK12
SCHEMBL1387759 0.73 MAPK14 (0.55) MAPK14GSK3BGSK3AMAPK13ALOX5
SCHEMBL16034499 0.72 KDM4C (1.00) KDM4CMAPK14KDM5AKDM5BKDM4A
SCHEMBL30638242 0.72 KDM4C (0.63) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL1517490 0.72 KDM4C (0.63) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL16095312 0.72 KDM4C (0.60) KDM4CMAPK14GSK3BKDM5AKDM5B

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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