SCHEMBL7014386

SCHEMBL7014386

[CH2]C(Cc1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2Cl)n1)Nc1ccc(C#N)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.50
CCNB2 O95067 2/20 0.50
CDK1 P06493 2/20 0.50
CCNB1 P14635 2/20 0.50
GSK3A P49840 2/20 0.50
CCNB3 Q8WWL7 2/20 0.50
RPS6KB1 P23443 1/20 0.50
CDK2 P24941 1/20 0.50
LIMK1 P53667 1/20 0.50
TAOK1 Q7L7X3 1/20 0.50
SLK Q9H2G2 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
CSNK1G1 Q9HCP0 1/20 0.50
IDH1 O75874 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
CRHR1 P34998 1/20 0.34
CNR1 P21554 6/20 0.33
CNR2 P34972 2/20 0.33
F11 P03951 1/20 0.30
KLKB1 P03952 1/20 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
SCHEMBL7852495 0.83 GSK3B (0.68) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4396003 0.82 GSK3B (0.61) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4393974 0.80 GSK3B (0.75) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5094002 0.80 GSK3B (0.58) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4400377 0.79 GSK3B (0.62) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7019126 0.78 GSK3B (0.69) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4395998 0.77 GSK3B (0.59) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL6069383 0.73 GSK3B (0.54) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7853620 0.72 GSK3B (0.46) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4394527 0.72 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