SCHEMBL5756702

SCHEMBL5756702

C=Cn1cc(C2=C(c3nn(CC(O)CN(C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.71
PRKCG P05129 10/20 0.71
PRKCB P05771 10/20 0.71
PRKCA P17252 10/20 0.71
PRKCD Q05655 6/20 0.49
KCNH2 Q12809 5/20 0.49
PRKCZ Q05513 3/20 0.49
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
MYLK Q15746 1/20 0.43
CCNE2 O96020 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
KISS1R Q969F8 1/20 0.41
CAMK2D Q13557 2/20 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
SCHEMBL3775971 0.92 GSK3B (0.61) GSK3BPRKCGPRKCBPRKCAPRKCD
SCHEMBL5755763 0.89 GSK3B (0.64) GSK3BPRKCGPRKCBPRKCAPRKCD
SCHEMBL5757611 0.87 GSK3B (0.59) GSK3BPRKCGPRKCBPRKCAPRKCD
SCHEMBL5758306 0.83 GSK3B (1.00) GSK3BPRKCGPRKCBPRKCAPRKCD
SCHEMBL5758314 0.81 CAMK2D (0.62) GSK3BPRKCGPRKCBPRKCAPRKCD
SCHEMBL3777462 0.80 GSK3B (0.53) GSK3BPRKCGPRKCBPRKCAPRKCD
SCHEMBL2946233 0.79 PRKCA (0.51) GSK3BPRKCGPRKCBPRKCAPRKCD
SCHEMBL4676750 0.77 GSK3B (0.50) GSK3BPRKCGPRKCBPRKCAPRKACA
SCHEMBL7090205 0.76 GSK3B (0.42) GSK3BPRKCGPRKCBPRKCAMYLK
SCHEMBL5758532 0.76 PRKCA (0.84) GSK3BPRKCGPRKCBPRKCAPRKCD

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-1362047-B1 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-05-17 EP disclosed