SCHEMBL2906673

SCHEMBL2906673

[CH2]OC1(Cn2cnc3c(N)nc(N)nc32)CC1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.53
CDK2 P24941 5/20 0.53
CDK1 P06493 4/20 0.53
CCNB1 P14635 4/20 0.53
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 4/20 0.42
AHCY P23526 1/20 0.37
HINT1 P49773 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PDE8A O60658 1/20 0.34
SLC29A1 Q99808 1/20 0.33
NT5E P21589 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 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
SCHEMBL2906676 0.89 CDK1 (0.55) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL2943371 0.88 CCNE1 (0.39) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL2904396 0.84 ADORA2A (0.52) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL4273209 0.81 CDK1 (0.46) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL3294539 0.81 CDK1 (0.46) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL2942557 0.81 KDM4E (0.42) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL2943375 0.77 CCNE1 (0.40) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL4270424 0.73 CCNE1 (0.36) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL2904399 0.72 ADORA2A (0.54) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL4963642 0.72 CCNE1 (0.62) CCNE1CDK2CDK1CCNB1HSP90AA1

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
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