SCHEMBL7498380

SCHEMBL7498380

COc1ccc2c(c1)c(C1=C(c3cn(C)c4ccc(C)cc34)C(=O)NC1=O)cn2C

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.65
PRKCA P17252 6/20 0.65
CCNE2 O96020 1/20 0.53
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53

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
SCHEMBL7502631 0.94 GSK3B (0.70) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL8161651 0.88 GSK3B (0.80) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7501398 0.88 GSK3B (0.79) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7502301 0.86 GSK3B (0.80) GSK3BPRKCACDK4CCND1CDK2
SCHEMBL7498549 0.84 PRKCA (0.64) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7498955 0.83 GSK3B (0.72) GSK3BPRKCACDK4CCND1CDK2
SCHEMBL7496292 0.83 GSK3B (0.58) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL8161731 0.83 CCNE2 (0.78) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL7499657 0.83 GSK3B (0.70) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7507319 0.82 GSK3B (0.60) 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 4 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
EP-0915870-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 EP disclosed
WO-1998004551-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1998-02-05 WO disclosed