SCHEMBL7653041

SCHEMBL7653041

CCn1cc(C2=C(c3cn(P(=O)(O)O)c4ccccc34)C(=O)NC2=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.46
QPCT Q16769 5/20 0.46
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41

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 0.88 CCNE2 (0.54) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL6427037 0.77 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
Enmd-981693 SCHEMBL29350364 0.76 CCNE2 (0.69) GSK3BCCNE2CDK4CCND1CCNE1
Enmd-981693 SCHEMBL608128 0.76 CCNE2 (0.69) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL7651446 0.74 CCNE2 (0.47) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL6948330 0.74 CCNE2 (0.54) GSK3BQPCTCCNE2CDK4CCND1
SCHEMBL6424296 0.73 CCNE2 (0.50) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7990320 0.73 PRKCA (0.43) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL9087452 0.73 PRKACA (0.66) GSK3BQPCTPRKACAPRKACGPRKACB
SCHEMBL9086517 0.73 PRKACA (0.74) GSK3BQPCTPRKACAPRKACGPRKACB

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 2 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
WO-2001044234-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed