SCHEMBL2906676

SCHEMBL2906676

COC1(Cn2cnc3c(N)nc(N)nc32)CC1C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.55
CCNB1 P14635 4/20 0.55
CCNE1 P24864 4/20 0.55
CDK2 P24941 4/20 0.55
HSP90AB1 P08238 9/20 0.45
HSP90AA1 P07900 8/20 0.45
AHCY P23526 1/20 0.38
PDE8A O60658 1/20 0.35
HSP90B1 P14625 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
SCHEMBL2906673 0.89 CCNE1 (0.53) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL2943375 0.88 CCNE1 (0.40) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL2904399 0.84 ADORA2A (0.54) AHCY
SCHEMBL3294539 0.82 CDK1 (0.46) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL4273209 0.82 CDK1 (0.46) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL2942561 0.80 HSP90AA1 (0.45) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL2943371 0.77 CCNE1 (0.39) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL4270424 0.74 CCNE1 (0.36) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL4963642 0.73 CCNE1 (0.62) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL2904396 0.72 ADORA2A (0.52) AHCY

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