SCHEMBL7499261

SCHEMBL7499261

COC(=O)c1ccc2c(C3=C(c4cn(C)c5cc(N)ccc45)C(=O)NC3=O)cn(C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.51
PRKCA P17252 3/20 0.51
BRD4 O60885 1/20 0.49
CREBBP Q92793 1/20 0.49
CCNE2 O96020 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL6950855 0.88 CCNE2 (0.66) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL8439689 0.87 GSK3B (0.54) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7496997 0.86 GSK3B (0.64) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7501375 0.83 BRD4 (0.47) GSK3BPRKCABRD4CREBBPCCNE2
SCHEMBL7498988 0.81 GSK3B (0.61) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL27515744 0.81 BRD4 (0.46) BRD4CREBBP
SCHEMBL14555040 0.81 CCNE2 (0.66) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7495252 0.80 PRKCA (0.61) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7054131 0.80 CCNE2 (0.76) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7501138 0.79 GSK3B (0.61) 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 2 patents. 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
US-6228877-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. 2001-05-08 US disclosed