SCHEMBL2909425

SCHEMBL2909425

CC1(C)CC1([O])Cn1cnc2c(O)nc(N)nc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.43
CDK2 P24941 5/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
CYP2C19 P33261 2/20 0.41
TLR9 Q9NR96 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
HSP90AA1 P07900 6/20 0.37
HSP90AB1 P08238 6/20 0.37
HRH4 Q9H3N8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
SLC29A1 Q99808 1/20 0.35

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
SCHEMBL2909427 0.87 CCNE1 (0.44) CCNE1CDK2CDK1CCNB1CYP2C19
SCHEMBL4265436 0.81 CCNE1 (0.37) CCNE1CDK2CDK1CCNB1CYP2C19
SCHEMBL2906275 0.80 POLB (0.38) CCNE1CDK2CDK1CCNB1CYP2C19
SCHEMBL4265441 0.79 POLB (0.36) CCNE1CDK2CDK1CCNB1CYP2C19
SCHEMBL2911149 0.78 CDK2 (0.43) CCNE1CDK2CDK1CCNB1CYP2C19
SCHEMBL27595166 0.77 CCNE1 (0.44) CCNE1CDK2CDK1CCNB1CYP2C19
SCHEMBL17860490 0.77 CCNE1 (0.71) CCNE1CDK2CDK1CCNB1CYP2C19
SCHEMBL27576990 0.76 CDK2 (0.41) CCNE1CDK2CDK1CCNB1CYP2C19
SCHEMBL4270163 0.76 CCNE1 (0.39) CCNE1CDK2CDK1CCNB1CYP2C19
SCHEMBL2911141 0.75 CDK2 (0.40) CCNE1CDK2CDK1CCNB1CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed
EP-1358198-A4 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2008-03-05 EP claimed
EP-1358198-A1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG Chem Investment, Ltd. (KR) 2003-11-05 EP claimed
WO-2002057288-A1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD. (KR) 2002-07-25 WO claimed