SCHEMBL10076893

SCHEMBL10076893

CC(=O)Nc1nc(N)nc2c1ncn2CC(=O)N(CC=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CSNK1D P48730 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
CDK1 P06493 1/20 0.32
PRKACA P17612 1/20 0.32
CCNA2 P20248 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
CCNA1 P78396 1/20 0.32
HDAC1 Q13547 3/20 0.32
BRD4 O60885 3/20 0.32
HDAC2 Q92769 2/20 0.32
DOT1L Q8TEK3 1/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL430142 0.89 CDK2 (0.36) CDK2CCNE2CCNE1CSNK1DCKS1B
SCHEMBL13074313 0.84 CCNE2 (0.36) CDK2CCNE2CCNE1CKS1BSKP1
SCHEMBL10077167 0.82 CCNE2 (0.39) CDK2CCNE2CCNE1HDAC1BRD4
SCHEMBL13074135 0.82 CKS1B (0.34) CDK2CCNE2CCNE1CSNK1DCKS1B
SCHEMBL23892831 0.82 HPRT1 (0.43)
SCHEMBL10077170 0.80 CCNE2 (0.35) CDK2CCNE2CCNE1CKS1BSKP1
SCHEMBL10077166 0.80 ADORA2A (0.36) CSNK1DCKS1BSKP1SKP2DOT1L
SCHEMBL10077177 0.78 CCNE1 (0.40) CDK2CCNE2CCNE1CSNK1DCKS1B
SCHEMBL430210 0.78 CCNE2 (0.38) CDK2CCNE2CCNE1CKS1BSKP1
SCHEMBL13074311 0.76 TLR7 (0.37) CDK2CCNE2CCNE1CKS1BSKP1

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
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO disclosed