SCHEMBL4679997

SCHEMBL4679997

C=Cn1cc(C2=C(c3cccc(OCC(O)CN(C)C)c3)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.51
PRKCA P17252 9/20 0.49
PRKCB P05771 2/20 0.48
PRKCG P05129 1/20 0.48
PRKCH P24723 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
CAMK2D Q13557 2/20 0.44
HIF1A Q16665 1/20 0.43
QPCT Q16769 1/20 0.42
GSK3A P49840 1/20 0.41

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
SCHEMBL4676750 0.91 GSK3B (0.50) GSK3BPRKCAPRKCBPRKCGCAMK2D
SCHEMBL2946233 0.85 PRKCA (0.51) GSK3BPRKCAPRKCBPRKCGPRKCH
SCHEMBL4680124 0.81 PRKCA (0.47) GSK3BPRKCAPRKCBPRKCGPRKCH
SCHEMBL7541680 0.78 GSK3B (0.72) GSK3BPRKCAGSK3A
SCHEMBL7529358 0.78 GSK3B (0.72) GSK3BPRKCAGSK3A
SCHEMBL5756702 0.75 GSK3B (0.71) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL4684125 0.74 PRKCA (0.62) GSK3BPRKCAPRKCBPRKCGPRKCH
SCHEMBL3775971 0.72 GSK3B (0.61) GSK3BPRKCAPRKCBPRKCGPRKCD
SCHEMBL20387059 0.70 GSK3B (0.66) GSK3BPRKCAQPCTGSK3A
SCHEMBL4683218 0.70 GSK3B (0.55) GSK3BPRKCAPRKCBPRKCHPRKCQ

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