SCHEMBL8249349

SCHEMBL8249349

Cn1cc(C2=C(c3nn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.74
CCNE2 O96020 1/20 0.74
CDK4 P11802 1/20 0.74
CCND1 P24385 1/20 0.74
CCNE1 P24864 1/20 0.74
CCNT1 O60563 1/20 0.64
PIM1 P11309 1/20 0.64
CCNA2 P20248 1/20 0.64
CDK9 P50750 1/20 0.64
CDK5 Q00535 1/20 0.64
CDK5R1 Q15078 1/20 0.64
GSK3B P49841 2/20 0.63
PRKCA P17252 1/20 0.63

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
SCHEMBL30319849 0.86 CCNE2 (1.00) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL5686048 0.86 CCNE2 (1.00) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL3775416 0.80 GSK3B (0.79) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL5333204 0.80 CDK2 (0.71) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL6950992 0.80 GSK3B (0.94) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL8162217 0.79 CDK2 (0.83) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL8804764 0.78 CCNE2 (0.82) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL8167092 0.78 CDK2 (0.76) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL30319850 0.77 GSK3B (1.00) CDK2CCNE2CDK4CCND1CCNE1
SCHEMBL8161830 0.77 CCNE2 (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007008514-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GEORGETOWN UNIVERSITY (US) 2007-01-18 WO disclosed