SCHEMBL458787

SCHEMBL458787

CC(=O)N(CC(=O)O)CC(NC(=O)OC(C)(C)C)n1cnc2c(=O)[nH]c(NC(=O)OCc3ccccc3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CTSL P07711 1/20 0.36
SYK P43405 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
JAK2 O60674 1/20 0.33
NOS1 P29475 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

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 0.89 CCNE2 (0.36) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL459585 0.85 CCNA2 (0.39) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL459411 0.82 MAPT (0.41) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL460946 0.76 MAPT (0.39) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL7913306 0.74 POLB (0.38) MEN1TSHRKMT2A
SCHEMBL11986875 0.73 RAF1 (0.45) RAF1BRAFMEN1TSHRKMT2A
SCHEMBL13196024 0.71 RAF1 (0.43) RAF1BRAFMEN1TSHRKMT2A
SCHEMBL7263683 0.68 L3MBTL1 (0.36) CCNE2CCNE1CDK2MEN1TSHR
SCHEMBL3132950 0.67 MEN1 (0.46) MEN1TSHRKMT2AMAPT
SCHEMBL430139 0.66 CKS1B (0.36) CCNE2CCNE1CDK2SYKMEN1

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