SCHEMBL7998047

SCHEMBL7998047

COc1cc(OC)cc(C(=O)NNC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2-c2ccc(N3CCNCC3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 20/20 0.65
CCNE1 P24864 20/20 0.65
CDK2 P24941 20/20 0.65
CDK4 P11802 15/20 0.65
CCND1 P24385 15/20 0.65

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
SCHEMBL7987334 0.88 CCNE2 (0.81) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7998051 0.87 CCNE2 (0.58) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7987302 0.87 CDK4 (0.55) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7987389 0.85 CDK4 (0.53) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7987271 0.82 CCNE2 (0.85) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7987326 0.82 CCNE2 (0.71) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4028350 0.82 CDK4 (0.59) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL8000217 0.81 CCNE2 (0.78) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7651776 0.81 CDK4 (0.60) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5515006 0.81 CCNE2 (0.83) 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 2 patents. 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 claimed
US-6291504-B1 POTENT INHIBITORS OF THE CLASS OF ENZYMES KNOWN AS CYCLIN DEPENDENT KINASES DUPONT PHARMACEUTICALS COMPANY 2001-09-18 US disclosed