SCHEMBL16095253

SCHEMBL16095253

CC(C)(C)C(=O)OCn1nnc(-c2ccnc(-c3nc(Cc4ccccc4Cl)[nH]c3-c3ccc(F)cc3)c2)n1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 9/20 0.69
▸ KDM2B Q8NHM5 5/20 0.69
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPK14 Q16539 5/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16094531 0.92 KDM4C (0.68) KDM4CKDM2BTP53POLBMAPK14
SCHEMBL16033723 0.81 KDM4C (1.00) KDM4CKDM2BTP53POLBMAPK14
SCHEMBL16094861 0.76 KDM4C (0.62) KDM4CKDM2BMAPK14GSK3AGSK3B
SCHEMBL16033542 0.75 KDM4C (1.00) KDM4CKDM2BNPC1CASP3RAB9A
SCHEMBL16033760 0.73 KDM4C (1.00) KDM4CKDM2BTP53POLBMAPK14
SCHEMBL16095914 0.71 MAPK14 (0.50) KDM4CTP53MAPK14GSK3AGSK3B
SCHEMBL16094879 0.70 KDM4C (0.61) KDM4CMAPK14GSK3AGSK3B
SCHEMBL16094728 0.70 KDM4C (0.64) KDM4CKDM2BMAPK14GSK3B
SCHEMBL16033764 0.66 KDM4C (1.00) KDM4CKDM2BNPC1CASP3RAB9A
SCHEMBL16095105 0.64 MAPK14 (0.46) KDM4CMAPK14GSK3AGSK3B

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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