SCHEMBL4676750

SCHEMBL4676750

C=Cn1cc(C2=C(c3ccc(OCC(O)CN(C)C)cc3)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.50
PRKCA P17252 3/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
CAMK2D Q13557 1/20 0.44
QPCT Q16769 5/20 0.44
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4679997 0.91 GSK3B (0.51) GSK3BPRKCAPRKCGPRKCBCAMK2D
SCHEMBL2946233 0.88 PRKCA (0.51) GSK3BPRKCAPRKCGPRKCBCAMK2D
SCHEMBL4680124 0.83 PRKCA (0.47) GSK3BPRKCAPRKCGPRKCBCAMK2D
SCHEMBL4684125 0.83 PRKCA (0.62) GSK3BPRKCAPRKCGPRKCBCAMK2D
SCHEMBL5756702 0.77 GSK3B (0.71) GSK3BPRKCAPRKCGPRKCBCAMK2D
SCHEMBL7522211 0.77 CCNE2 (0.65) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL3775971 0.72 GSK3B (0.61) GSK3BPRKCAPRKCGPRKCBPRKACA
SCHEMBL4683218 0.71 GSK3B (0.55) GSK3BPRKCAPRKCBQPCTPRKACA
SCHEMBL4683103 0.70 PRKCA (0.64) GSK3BPRKCAPRKCGPRKCBQPCT
SCHEMBL7529358 0.67 GSK3B (0.72) GSK3BPRKCACCNE2CDK4CCND1

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