SCHEMBL7501192

SCHEMBL7501192

Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2cc(Cl)ccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.56
CDK2 P24941 3/20 0.56
GSK3A P49840 2/20 0.56
CDK4 P11802 2/20 0.56
CCND1 P24385 2/20 0.56
MEN1 O00255 1/20 0.56
RGS12 O14924 1/20 0.56
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
CCNB2 O95067 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CDK1 P06493 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CCNB1 P14635 1/20 0.56

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
SCHEMBL7496693 0.94 GSK3B (0.57) GSK3BCDK2GSK3ACDK4CCND1
SCHEMBL7508119 0.92 CCNE2 (0.56) CDK2CDK4CCND1CCNE2CCNE1
SCHEMBL668748 0.90 CCNE2 (0.57) CDK2CDK4CCND1CCNE2CCNE1
SCHEMBL7507328 0.88 PRKCA (0.52) GSK3BCDK2CDK4CCND1PRKCA
Enmd-981693 SCHEMBL29350364 0.86 CCNE2 (0.69) GSK3BCDK2CDK4CCND1CCNE2
Enmd-981693 SCHEMBL608128 0.86 CCNE2 (0.69) GSK3BCDK2CDK4CCND1CCNE2
SCHEMBL4420386 0.86 GSK3B (0.68) GSK3BCDK2GSK3ACDK4CCND1
SCHEMBL7499922 0.84 GSK3B (0.55) GSK3BCDK2CDK4CCND1CCNE2
SCHEMBL7497956 0.84 GSK3B (0.57) GSK3BCDK2CDK4CCND1PRKCA
SCHEMBL7506705 0.84 CDK2 (0.51) 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