SCHEMBL2911141

SCHEMBL2911141

[CH2]NC1(Cn2cnc3c(O)nc(N)nc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.40
CCNE1 P24864 5/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 3/20 0.40
HDAC6 Q9UBN7 5/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC4 P56524 1/20 0.35
SLC29A1 Q99808 1/20 0.34
CYP2C19 P33261 2/20 0.33
PRKACA P17612 1/20 0.33
CCNA2 P20248 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
CCNA1 P78396 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL2911149 0.87 CDK2 (0.43) CDK2CCNE1CDK1CCNB1HDAC6
SCHEMBL4266069 0.82 HDAC6 (0.35) CDK2CCNE1CDK1CCNB1HDAC6
SCHEMBL3291258 0.81 POLB (0.38) CDK2CCNE1CDK1CCNB1HDAC6
SCHEMBL27576990 0.78 CDK2 (0.41) CDK2CCNE1CDK1CCNB1HDAC1
SCHEMBL2909427 0.75 CCNE1 (0.44) CDK2CCNE1CDK1CCNB1HDAC6
SCHEMBL2909425 0.75 CCNE1 (0.43) CDK2CCNE1CDK1CCNB1HDAC6
SCHEMBL2943371 0.73 CCNE1 (0.39) CDK2CCNE1CDK1CCNB1SLC29A1
SCHEMBL4266236 0.73 CCNE1 (0.34) CDK2CCNE1CDK1CCNB1HDAC6
SCHEMBL17860490 0.73 CCNE1 (0.71) CDK2CCNE1CDK1CCNB1SLC29A1
SCHEMBL2910543 0.73 CCNE1 (0.43) CDK2CCNE1CDK1CCNB1HDAC6

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 5 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-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 disclosed
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 disclosed
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 disclosed
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 disclosed