SCHEMBL20170190

SCHEMBL20170190

C=C(OCC)c1cc(Br)nc2c1cnn2C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 6/20 0.52
PDE9A O76083 11/20 0.40
PDE1C Q14123 2/20 0.38
GRM1 Q13255 1/20 0.38
PDE1B Q01064 3/20 0.37
PDE1A P54750 1/20 0.36
PLK4 O00444 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
SCHEMBL12498824 0.87 EZH2 (0.57) EZH2PDE9APDE1B
SCHEMBL12498746 0.86 EZH2 (0.56) EZH2PDE9AGRM1
SCHEMBL12499903 0.84 EZH2 (0.55) EZH2PDE9APDE1C
SCHEMBL12499545 0.78 EZH2 (0.59) EZH2PDE1CPDE1BPDE1A
SCHEMBL19391456 0.76 EZH2 (0.44) EZH2PDE9APDE1CPDE1BPDE1A
SCHEMBL12499146 0.75 EZH2 (0.47) EZH2PDE1CPDE1B
SCHEMBL14894949 0.74 EZH2 (0.45) EZH2
SCHEMBL12499304 0.69 EZH2 (1.00) EZH2
SCHEMBL12499097 0.69 EZH2 (0.98) EZH2
SCHEMBL26695316 0.68 EZH2 (0.46) EZH2PDE9APDE1CGRM1PDE1B

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
EP-3323820-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-05-23 EP disclosed