SCHEMBL7499634

SCHEMBL7499634

Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccc(Br)cc21

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.55
CDK2 P24941 4/20 0.54
CDK4 P11802 3/20 0.54
CCND1 P24385 3/20 0.54
CCNE2 O96020 2/20 0.54
CCNE1 P24864 2/20 0.54
CAMK2D Q13557 1/20 0.52
CCNT1 O60563 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND3 P30281 1/20 0.46
CDK9 P50750 1/20 0.46
CDK3 Q00526 1/20 0.46
CDK6 Q00534 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46

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 0.93 CCNE2 (0.57) CDK2CDK4CCND1CCNE2CCNE1
SCHEMBL7508119 0.88 CCNE2 (0.56) CDK2CDK4CCND1CCNE2CCNE1
SCHEMBL7497956 0.87 GSK3B (0.57) GSK3BCDK2CDK4CCND1CCNE2
SCHEMBL7506705 0.87 CDK2 (0.51) GSK3BCDK2CDK4CCND1CCNE2
Enmd-981693 SCHEMBL608128 0.87 CCNE2 (0.69) GSK3BCDK2CDK4CCND1CCNE2
Enmd-981693 SCHEMBL29350364 0.87 CCNE2 (0.69) GSK3BCDK2CDK4CCND1CCNE2
SCHEMBL7057352 0.86 PRKCA (0.53) GSK3BCDK2CDK4CCND1CCNE2
SCHEMBL7496693 0.86 GSK3B (0.57) GSK3BCDK2CDK4CCND1CCNE2
SCHEMBL7502568 0.86 GSK3B (0.58) GSK3BCDK2CDK4CCND1CCNE2
SCHEMBL7050925 0.85 CCNE2 (0.49) GSK3BCDK2CDK4CCND1CCNE2

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