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SCHEMBL7497992

SCHEMBL7497992

Cn1cc(C2=C(c3cn(C)c4cc(C#N)ccc34)C(=O)NC2=O)c2ccc(N)cc21.Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccc(C#N)cc21

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.45
▸ PRKCA P17252 1/20 0.45
▸ 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
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 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
SCHEMBL7505460 0.94 GSK3B (0.48) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL7057352 0.91 PRKCA (0.53) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7502705 0.90 GSK3B (0.54) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7499922 0.89 GSK3B (0.55) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL668748 0.84 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7496386 0.82 CDK4 (0.55) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7508119 0.80 CCNE2 (0.56) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7496997 0.80 GSK3B (0.64) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7497956 0.79 GSK3B (0.57) GSK3BPRKCACCNE2CDK4CCND1
Enmd-981693 SCHEMBL608128 0.79 CCNE2 (0.69) GSK3BCCNE2CDK4CCND1CCNE1

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-0915870-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2002-09-25 — — EP disclosed