SCHEMBL23564264

SCHEMBL23564264

Cc1c[nH]c(-c2cnc(CCCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.60
CCNB2 O95067 2/20 0.60
CDK1 P06493 2/20 0.60
CCNB1 P14635 2/20 0.60
GSK3A P49840 2/20 0.60
CCNB3 Q8WWL7 2/20 0.60
RPS6KB1 P23443 1/20 0.60
CDK2 P24941 1/20 0.60
LIMK1 P53667 1/20 0.60
TAOK1 Q7L7X3 1/20 0.60
SLK Q9H2G2 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
CSNK1G1 Q9HCP0 1/20 0.60
IDH1 O75874 3/20 0.38
ROS1 P08922 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
CRHR1 P34998 5/20 0.33

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
Laduviglusib SCHEMBL29381114 0.88 GSK3B (0.77) GSK3BCCNB2CDK1CCNB1GSK3A
Laduviglusib SCHEMBL29838591 0.88 GSK3B (0.77) GSK3BCCNB2CDK1CCNB1GSK3A
Laduviglusib SCHEMBL240280 0.88 GSK3B (0.77) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4404427 0.87 GSK3B (0.64) GSK3BCCNB2CDK1CCNB1GSK3A
Laduviglusib SCHEMBL17165152 0.87 GSK3B (0.76) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL12552315 0.81 GSK3B (0.67) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL5094723 0.80 GSK3B (0.66) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL4398952 0.80 GSK3B (0.65) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL20095066 0.78 GSK3B (0.72) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL7148131 0.77 GSK3B (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210189335-A1 OLIGODENDROCYTE PROGENITOR CELL COMPOSITIONS ASTERIAS BIOTHERAPEUTICS, INC. (US) 2021-06-24 US disclosed