SCHEMBL7651446

SCHEMBL7651446

Cn1cc(C2=C(c3cn(P(=O)(OCc4ccccc4)OCc4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
PRKCA P17252 2/20 0.45
PRKCB P05771 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
GSK3B P49841 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
SCHEMBL6424448 0.84 CCNE2 (0.54) CCNE2CDK4CCND1CCNE1CDK2
Enmd-981693 SCHEMBL29350364 0.82 CCNE2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
Enmd-981693 SCHEMBL608128 0.82 CCNE2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7497269 0.82 CTSV (0.51) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7990320 0.81 PRKCA (0.43) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL668748 0.79 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6952804 0.79 CCNT1 (0.40) CDK2
SCHEMBL6948330 0.78 CCNE2 (0.54) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6440413 0.78 CCNE2 (0.58) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6427037 0.77 CCNE2 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242408-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6313143-B1 USEFUL IN THERAPY OF CELL PROLIFERATIVE DISORDERS SUCH AS CANCER HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed
WO-2001044234-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed