SCHEMBL4680124

SCHEMBL4680124

C=Cn1cc(C2=C(c3c(OCC(O)CN(C)C)ccc4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 11/20 0.47
PRKCB P05771 10/20 0.47
GSK3B P49841 4/20 0.47
PRKCG P05129 2/20 0.47
PRKCD Q05655 6/20 0.41
PRKCQ Q04759 5/20 0.41
PRKCH P24723 4/20 0.41
PRKCE Q02156 3/20 0.41
CDK2 P24941 2/20 0.41
PRKACA P17612 5/20 0.39
PRKACB P22694 4/20 0.39
PRKACG P22612 3/20 0.39
CDK4 P11802 2/20 0.38
CCNE2 O96020 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
PIM1 P11309 3/20 0.38
CHEK1 O14757 2/20 0.38
CLK2 P49760 2/20 0.38
GSK3A P49840 2/20 0.38

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
SCHEMBL2946233 0.88 PRKCA (0.51) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL4676750 0.83 GSK3B (0.50) PRKCAPRKCBGSK3BPRKCGCDK2
SCHEMBL4679997 0.81 GSK3B (0.51) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL4676818 0.76 PRKCB (0.48) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL5756702 0.75 GSK3B (0.71) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL4683218 0.72 GSK3B (0.55) PRKCAPRKCBGSK3BPRKCDPRKCQ
SCHEMBL4683103 0.71 PRKCA (0.64) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL3775971 0.70 GSK3B (0.61) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL4684125 0.67 PRKCA (0.62) PRKCAPRKCBGSK3BPRKCGPRKCD
SCHEMBL13166876 0.66 ABCB1 (0.35)

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-1513520-B1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed