SCHEMBL4963642

SCHEMBL4963642

Nc1nc(N)c2ncn(CC3CC3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.62
CDK2 P24941 5/20 0.62
CDK1 P06493 4/20 0.62
CCNB1 P14635 4/20 0.62
AHCY P23526 1/20 0.44
YTHDC1 Q96MU7 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PDE8A O60658 2/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CHKA P35790 1/20 0.39
MAPK14 Q16539 1/20 0.38
CNR2 P34972 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL15940886 0.90 CDK1 (0.55) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL2911823 0.85 HSP90AA1 (0.51) YTHDC1HSP90AA1HSP90AB1
SCHEMBL2911506 0.79 YTHDC1 (0.49) CCNE1CDK2CDK1CCNB1YTHDC1
SCHEMBL3441063 0.79 YTHDC1 (0.67) CDK1YTHDC1PDE8ACNR2PDE4D
SCHEMBL24709725 0.78 CCNE1 (0.72) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL21137280 0.78 CCNE1 (0.72) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL27516653 0.77 CCNE1 (0.70) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL22300666 0.77 CCNE1 (0.70) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL8767031 0.77 CCNE1 (1.00) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL2198112 0.76 PDE8A (0.60) CDK1YTHDC1PDE8APDE4DADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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