SCHEMBL7526216

SCHEMBL7526216

Cn1cc(C2=C(c3cn(C)c4cc(-c5ccsc5)ccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.64
CDK4 P11802 1/20 0.64
CCND1 P24385 1/20 0.64
CCNE1 P24864 1/20 0.64
CDK2 P24941 1/20 0.64
GSK3B P49841 3/20 0.62
PRKCA P17252 2/20 0.58
KDR P35968 1/20 0.57

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
SCHEMBL8161280 0.90 CCNE2 (0.72) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7532464 0.84 CCNE2 (0.44) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7592932 0.82 GSK3B (0.79) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7535875 0.82 CDK2 (0.60) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7976420 0.81 GSK3B (0.67) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL30319849 0.80 CCNE2 (1.00) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5686048 0.80 CCNE2 (1.00) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7987647 0.79 CDK2 (0.63) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7505472 0.78 CCNE2 (0.78) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7988360 0.78 CDK2 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US claimed
EP-1242409-A2 SUBSTITUTED BISINDOLYLMALEIMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2001046178-A2 SUBSTITUIERTE BISINDOLYMALEIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2001-06-28 WO disclosed