SCHEMBL7501375

SCHEMBL7501375

COC(=O)c1ccc2c(C3=C(c4cn(C)c5cc([N+](=O)[O-])ccc45)C(=O)NC3=O)cn(C)c2c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
GSK3B P49841 3/20 0.45
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
PRKCA P17252 2/20 0.44

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
SCHEMBL6950855 0.84 CCNE2 (0.66) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL7499261 0.83 GSK3B (0.51) BRD4CREBBPGSK3BCCNE2CDK4
SCHEMBL7059442 0.83 GSK3B (0.57) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL27382005 0.83 BRD4 (0.44) BRD4CREBBPCDK2
SCHEMBL7508119 0.82 CCNE2 (0.56) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7497956 0.82 GSK3B (0.57) GSK3BCCNE2CDK4CCND1CCNE1
Enmd-981693 SCHEMBL608128 0.82 CCNE2 (0.69) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL7506705 0.82 CDK2 (0.51) GSK3BCCNE2CDK4CCND1CCNE1
Enmd-981693 SCHEMBL29350364 0.82 CCNE2 (0.69) GSK3BCCNE2CDK4CCND1CCNE1

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