SCHEMBL16094879

SCHEMBL16094879

O=C(O)c1ccnc(-c2nc(CCc3ccccc3Cl)[nH]c2-c2ccc(F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 9/20 0.61
▸ MAPK14 Q16539 8/20 0.49
▸ GSK3B P49841 4/20 0.49
▸ KDM5A P29375 4/20 0.49
▸ KDM5B Q9UGL1 4/20 0.49
▸ MAPK13 O15264 1/20 0.46
▸ GCGR P47871 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ KDM4A O75164 2/20 0.45
▸ GSK3A P49840 2/20 0.44
▸ TGFBR1 P36897 1/20 0.43
▸ KMO O15229 1/20 0.42
▸ EGFR P00533 1/20 0.41

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
SCHEMBL16095105 0.82 MAPK14 (0.46) KDM4CMAPK14GSK3BMAPK13GCGR
SCHEMBL16094728 0.81 KDM4C (0.64) KDM4CMAPK14GSK3BKDM5AKDM5B
SCHEMBL16094974 0.79 KDM4C (0.56) KDM4CMAPK14GSK3BKDM5AKDM5B
SCHEMBL16034492 0.76 KDM4C (1.00) KDM4CKDM5AKDM5BKDM4A
SCHEMBL16033932 0.74 KDM4C (1.00) KDM4CKDM5AKDM5BKDM4A
SCHEMBL16095914 0.74 MAPK14 (0.50) KDM4CMAPK14GSK3BMAPK13GCGR
SCHEMBL16095177 0.74 KDM4C (0.39) KDM4CMAPK14GSK3BMAPK13GCGR
SCHEMBL16094861 0.73 KDM4C (0.62) KDM4CMAPK14GSK3BKDM5AKDM5B
SCHEMBL16095092 0.73 KDM4C (0.63) KDM4CKDM5AKDM5B
SCHEMBL16095505 0.73 KDM4C (0.56) 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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