SCHEMBL8739079

SCHEMBL8739079

CC1(C)CC(NC(=O)c2ccc(COc3cccc(-c4cnc5[nH]ccc5c4)c3)cc2)CC(C)(C)N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 6/20 0.64
CDK8 P49336 7/20 0.48
MAP4K4 O95819 2/20 0.48
CHEK2 O96017 2/20 0.48
CDK1 P06493 2/20 0.48
FES P07332 2/20 0.48
ROS1 P08922 2/20 0.48
FER P16591 2/20 0.48
FLT4 P35916 2/20 0.48
KDR P35968 2/20 0.48
IRAK1 P51617 2/20 0.48
ROCK1 Q13464 2/20 0.48
PKN2 Q16513 2/20 0.48
MARK2 Q7KZI7 2/20 0.48
MINK1 Q8N4C8 2/20 0.48
AURKB Q96GD4 2/20 0.48
SLK Q9H2G2 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
STK17A Q9UEE5 2/20 0.48
MAP4K5 Q9Y4K4 2/20 0.48

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
SCHEMBL8739293 0.86 EZH2 (0.68) EZH2L3MBTL1ATMGLA
SCHEMBL8738211 0.86 EZH2 (0.68) EZH2L3MBTL1ATMGLA
SCHEMBL8738307 0.85 EZH2 (0.67) EZH2L3MBTL1ATMGLA
SCHEMBL8738204 0.85 EZH2 (0.69) EZH2L3MBTL1ATMGLA
SCHEMBL8738629 0.85 EZH2 (0.74) EZH2L3MBTL1ATMGLA
SCHEMBL8738126 0.85 EZH2 (0.66) EZH2L3MBTL1ATMGLA
SCHEMBL8738621 0.85 EZH2 (0.66) EZH2L3MBTL1ATMGLA
SCHEMBL8738576 0.84 EZH2 (0.68) EZH2ROCK2L3MBTL1ATMGLA
SCHEMBL8739018 0.84 EZH2 (0.68) EZH2L3MBTL1ATMGLA
SCHEMBL8738206 0.84 EZH2 (0.73) EZH2L3MBTL1ATMGLA

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-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed