SCHEMBL7500405

SCHEMBL7500405

Cn1cc(C2=C(c3cn(C)c4cccc(F)c34)C(=O)NC2=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.50
CDK4 P11802 2/20 0.50
CCND1 P24385 2/20 0.50
CCNE1 P24864 2/20 0.50
CDK2 P24941 2/20 0.50
PRKCA P17252 1/20 0.48
GSK3B P49841 1/20 0.48
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47

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
SCHEMBL668748 0.87 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7496358 0.86 GSK3B (0.60) PRKCAGSK3B
Enmd-981693 SCHEMBL608128 0.86 CCNE2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
Enmd-981693 SCHEMBL29350364 0.86 CCNE2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7502568 0.85 GSK3B (0.58) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7508119 0.82 CCNE2 (0.56) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7497956 0.82 GSK3B (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7506705 0.82 CDK2 (0.51) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7507263 0.81 GSK3B (0.65) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6440413 0.81 CCNE2 (0.58) 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 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