SCHEMBL6087693

SCHEMBL6087693

COc1ccc2cnc(Nc3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)cc3)nc2c1C1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.69
CCND1 P24385 19/20 0.69
CCNE1 P24864 14/20 0.69
CDK2 P24941 14/20 0.69
CDK1 P06493 11/20 0.69
CCNB1 P14635 11/20 0.69
SUV39H2 Q9H5I1 1/20 0.44

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
SCHEMBL6087337 0.90 CDK4 (0.73) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087411 0.85 CDK4 (0.80) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087444 0.82 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088024 0.81 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087349 0.80 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6088241 0.80 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086509 0.80 CDK4 (0.67) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6086527 0.79 CDK4 (1.00) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6087555 0.79 CDK4 (0.87) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL5515852 0.78 SYK (0.52)

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-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US disclosed