SCHEMBL6013684

SCHEMBL6013684

Cc1nc(N)c2ncn(-n3cnc4c(N)nc(N)nc43)c2n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.54
CCNB1 P14635 3/20 0.54
CCNE1 P24864 3/20 0.54
CDK2 P24941 3/20 0.54
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
AHCY P23526 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HSP90B1 P14625 1/20 0.35
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
SCHEMBL7626823 0.93 CDK1 (0.44) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL9153899 0.89 CDK1 (0.44) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL27983442 0.89 CDK1 (0.59) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL15789757 0.79 CDK1 (0.50) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL28070623 0.77 CDK1 (0.46) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL28480707 0.77 CDK1 (0.47) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4402870 0.77 CDK1 (0.66) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL26027582 0.77 CDK1 (0.43) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL28290896 0.75 CDK1 (0.42) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL129642 0.74 CDK1 (0.68) CDK1CCNB1CCNE1CDK2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625138-A2 PROTECTED MONOMERS Alnylam Pharmaceuticals Inc. (US) 2006-02-15 EP claimed
WO-2004094345-A2 PROTECTED MONOMERS ALNYLAM PHARMACEUTICALS INC. (US) 2004-11-04 WO claimed