SCHEMBL8000208

SCHEMBL8000208

COc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)N(N)C(=O)c4ccccc4OC)cccc2-3)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 20/20 0.70
CCNE1 P24864 20/20 0.70
CDK2 P24941 20/20 0.70
CDK4 P11802 17/20 0.70
CCND1 P24385 17/20 0.70

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
SCHEMBL4023838 0.83 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5515824 0.81 CCNE2 (0.66) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4024263 0.80 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL8003472 0.80 CCNE2 (0.75) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4024870 0.80 CCNE2 (0.73) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4024941 0.79 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4025257 0.79 CCNE2 (0.80) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4026857 0.79 CCNE2 (0.81) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5515367 0.78 CCNE2 (0.73) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4027362 0.78 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1

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
US-6291504-B1 POTENT INHIBITORS OF THE CLASS OF ENZYMES KNOWN AS CYCLIN DEPENDENT KINASES DUPONT PHARMACEUTICALS COMPANY 2001-09-18 US disclosed