SCHEMBL8442771

SCHEMBL8442771

CSc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.74
CDK4 P11802 1/20 0.74
CCND1 P24385 1/20 0.74
CCNE1 P24864 1/20 0.74
CDK2 P24941 1/20 0.74
GSK3B P49841 2/20 0.63
PRKCA P17252 1/20 0.63

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
SCHEMBL8160514 0.94 CCNE2 (0.72) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8154477 0.89 GSK3B (0.77) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5686048 0.86 CCNE2 (1.00) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL30319849 0.86 CCNE2 (1.00) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7504842 0.86 PRKCA (0.56) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7505472 0.84 CCNE2 (0.78) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7507319 0.83 GSK3B (0.60) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7054131 0.83 CCNE2 (0.76) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7529336 0.83 CCNE2 (0.77) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8154922 0.83 GSK3B (0.81) CCNE2CDK4CCND1CCNE1CDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915871-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 EP disclosed
US-5891901-A ANTICARCINOGENIC AGENTS OR ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-04-06 US disclosed
WO-1998004553-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F.HOFFMANN-LA ROCHE AG (CH) 1998-02-05 WO disclosed