SCHEMBL16126232

SCHEMBL16126232

N#Cc1ccnc(-c2ncn(CCCO)c2Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ CSNK1A1 P48729 2/20 0.38
▸ CSNK1D P48730 2/20 0.38
▸ MAP4K5 Q9Y4K4 2/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ FRK P42685 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37
▸ TGFBR1 P36897 3/20 0.37
▸ TGFBR2 P37173 1/20 0.37
▸ CDC42BPA Q5VT25 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ PHF8 Q9UPP1 1/20 0.34

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
SCHEMBL16033927 0.85 KDM4C (0.41) KDM4CKDM2BTGFBR1PHF8GRM5
SCHEMBL16034004 0.85 KDM4C (0.41) KDM4CKDM2BPHF8GRM5CTSL
SCHEMBL16034598 0.82 KDM4C (0.41) KDM4CKDM2BTGFBR1TGFBR2PHF8
SCHEMBL16034550 0.79 KDM4C (0.39) KDM4CKDM2BTGFBR1PHF8GRM5
SCHEMBL16033852 0.78 PHF8 (0.51) KDM4CKDM2BPHF8GRM5KCNH2
SCHEMBL16033744 0.78 KDM4C (0.41) KDM4CKDM2BTGFBR1PHF8GRM5
SCHEMBL16034905 0.78 KDM4C (0.57) KDM4CKDM2BGRM5KCNH2NPY5R
SCHEMBL16033536 0.75 PHF8 (0.60) KDM4CKDM2BPHF8GRM5MAPK14
SCHEMBL16126212 0.74 KDM5A (0.43) KDM4CKDM2BPHF8GRM5
SCHEMBL9792784 0.66 NPY5R (0.45) KDM4CGRM5KCNH2NPY5R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
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