SCHEMBL7535875

SCHEMBL7535875

Cn1cc(C2=C(c3cn(C)c4cc(-c5nccs5)ccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.60
CCNE2 O96020 1/20 0.60
CDK4 P11802 1/20 0.60
CCND1 P24385 1/20 0.60
CCNE1 P24864 1/20 0.60
CCNT1 O60563 1/20 0.59
PIM1 P11309 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK9 P50750 1/20 0.59
CDK5 Q00535 1/20 0.59
CDK5R1 Q15078 1/20 0.59
GSK3B P49841 4/20 0.58
PRKCA P17252 1/20 0.58

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
SCHEMBL7530835 0.85 CDK2 (0.42) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7526216 0.82 CCNE2 (0.64) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7592932 0.82 GSK3B (0.79) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7987647 0.81 CDK2 (0.63) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7976219 0.81 CDK2 (0.63) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7530619 0.80 CDK2 (0.62) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7523424 0.79 CDK2 (0.63) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL7976420 0.78 GSK3B (0.67) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL30319849 0.78 CCNE2 (1.00) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL5686048 0.78 CCNE2 (1.00) CDK2CCNE2CDK4CCND1CCNE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

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