SCHEMBL7496997

SCHEMBL7496997

Cn1cc(C2=C(c3cn(C)c4cc(N)ccc34)C(=O)NC2=O)c2ccc(N)cc21

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.64
PRKCA P17252 1/20 0.64
CCNE2 O96020 1/20 0.63
CDK4 P11802 1/20 0.63
CCND1 P24385 1/20 0.63
CCNE1 P24864 1/20 0.63
CDK2 P24941 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
SCHEMBL7495252 0.93 PRKCA (0.61) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7054131 0.93 CCNE2 (0.76) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7501138 0.92 GSK3B (0.61) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7497412 0.92 GSK3B (0.62) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7500917 0.92 GSK3B (0.59) GSK3BPRKCACCNE2CDK4CCND1
Hydrochloric Acid SCHEMBL7500381 0.91 GSK3B (0.61) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7504842 0.91 PRKCA (0.56) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7498988 0.90 GSK3B (0.61) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL8439689 0.89 GSK3B (0.54) GSK3BPRKCACCNE2CDK4CCND1
SCHEMBL7502705 0.89 GSK3B (0.54) 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