SCHEMBL459649

SCHEMBL459649

CC(=O)N(CC(=O)O)CC(NC(=O)OC(C)(C)C)n1cnc2c(N)[nH]c(=O)nc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL458953 0.82 CCNE2 (0.36) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL459411 0.79 MAPT (0.41) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL458787 0.78 CCNE2 (0.36) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL432421 0.73 CKS1B (0.36) CCNE2CCNE1CDK2
SCHEMBL460946 0.72 MAPT (0.39) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL13074135 0.64 CKS1B (0.34) CCNE2CCNE1CDK2
SCHEMBL13037053 0.62 CKS1B (0.35) CCNE2CCNE1CDK2
SCHEMBL10078205 0.61 HPRT1 (0.49)
SCHEMBL15496826 0.60 HPRT1 (0.49)
SCHEMBL15499106 0.59 TK1 (0.50)

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
EP-2596102-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GeneArrest Ltd (IL) 2013-05-29 EP disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO disclosed