SCHEMBL28847719

SCHEMBL28847719

CC(=O)C(c1cnc(NC(=O)OC(C)(C)C)s1)[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 7/20 0.44
CDK2 P24941 7/20 0.44
CCNE2 O96020 2/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
CDK5 Q00535 5/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LCK P06239 5/20 0.40
P2RY2 P41231 1/20 0.38
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL17998701 0.82 CDK2 (0.61) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL5025187 0.79 CDK2 (0.51) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL2878400 0.78 CCNE1 (0.44) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL1903375 0.78 CCNE1 (0.44) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL13266901 0.76 CA1 (0.47) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL21392355 0.76 CCNE1 (0.45) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL31242783 0.76 CCNE1 (0.43) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL12715493 0.75 CCNE1 (0.50) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL12241503 0.75 RAB9A (0.52) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL1031633 0.74 SMN1; SMN2 (0.47) CCNE1CDK2CCNE2CCNB2CDK1

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
CN-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 CN disclosed