SCHEMBL7105010

SCHEMBL7105010

N#Cc1cc/c(=N/CCNc2ncc(-c3ncc[nH]3)c(-c3ccc(C(F)(F)F)cc3F)n2)[nH]c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.35
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
GSK3A P49840 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
LIMK1 P53667 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
SLK Q9H2G2 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
FEN1 P39748 5/20 0.33
ALOX5AP P20292 4/20 0.33
DGAT1 O75907 1/20 0.30
SOAT1 P35610 1/20 0.30
KCNH2 Q12809 1/20 0.30
VNN1 O95497 2/20 0.30

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
SCHEMBL7105013 1.00 GSK3B (0.35) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5100119 0.83 GSK3B (0.51) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL14097057 0.74 GSK3B (0.49) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5022437 0.72 GSK3B (0.46) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5023309 0.72 GSK3B (0.49) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5092053 0.71 GSK3B (0.69) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5100102 0.70 GSK3B (0.51) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5091610 0.70 GSK3B (0.53) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5089415 0.69 KDM1A (0.42) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4394527 0.67 GSK3B (0.63) GSK3BCCNB2CDK1CCNB1GSK3A

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-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed