SCHEMBL459585

SCHEMBL459585

CC(=O)N(CC(=O)O)CC(NC(=O)OC(C)(C)C)n1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
SYK P43405 1/20 0.36
MAPT P10636 1/20 0.35
CDK1 P06493 2/20 0.34
JAK2 O60674 1/20 0.34
CDC20 Q12834 1/20 0.33
CTSL P07711 1/20 0.33
BACE1 P56817 2/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33

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 0.85 CCNE2 (0.36) CCNA2CDK2CCNA1CCNE2CCNE1
SCHEMBL458787 0.85 CCNE2 (0.36) CCNA2CDK2CCNA1CCNE2CCNE1
SCHEMBL432837 0.78 CCNE2 (0.37) CDK2CCNE2CCNE1SYKCDK1
SCHEMBL459411 0.78 MAPT (0.41) CCNA2CDK2CCNA1CCNE2CCNE1
SCHEMBL430210 0.77 CCNE2 (0.38) CDK2CCNE2CCNE1SYKMAPT
SCHEMBL6269147 0.74 CDK2 (0.42) CCNA2CDK2CCNA1CCNE1CDK1
SCHEMBL432838 0.73 CCNE2 (0.39) CDK2CCNE2CCNE1SYKCDK1
SCHEMBL460946 0.72 MAPT (0.39) CCNA2CDK2CCNA1CCNE2CCNE1
SCHEMBL27586664 0.72 CDK1 (0.45) MAPTCDK1HDAC1HDAC2HDAC8
SCHEMBL434178 0.71 HDAC1 (0.34) CDK2CCNE2CCNE1CDK1HDAC1

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