SCHEMBL7745006

SCHEMBL7745006

COc1nc(N)nc2c1ncn2CC(CO)CO

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 7/20 0.51
HSP90AA1 P07900 6/20 0.51
CCNE1 P24864 4/20 0.47
CDK2 P24941 4/20 0.47
CDK1 P06493 3/20 0.47
CCNB1 P14635 3/20 0.47
SLC29A1 Q99808 1/20 0.43
AHCY P23526 1/20 0.39
ADORA2A P29274 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5930393 0.87 HSP90AA1 (0.49) HSP90AB1HSP90AA1CCNE1CDK2CDK1
SCHEMBL17364319 0.83 CDK1 (0.67) HSP90AB1HSP90AA1CCNE1CDK2CDK1
SCHEMBL9583704 0.82 MEN1 (0.57) HSP90AB1HSP90AA1CCNE1CDK2CDK1
SCHEMBL14659477 0.82 HSP90AB1 (0.49) HSP90AB1HSP90AA1CCNE1CDK2CDK1
SCHEMBL7749494 0.82 CCNE1 (0.65) HSP90AB1HSP90AA1CCNE1CDK2CDK1
SCHEMBL25500746 0.81 MGMT (0.55) CCNE1CDK2CDK1CCNB1SLC29A1
SCHEMBL21162268 0.80 HSP90AA1 (0.47) HSP90AB1HSP90AA1CCNE1CDK2CDK1
SCHEMBL10509135 0.80 CCNE1 (0.41) HSP90AB1HSP90AA1CCNE1CDK2CDK1
SCHEMBL16812182 0.80 HPRT1 (0.52) HSP90AB1HSP90AA1CCNE1CDK2SLC29A1
SCHEMBL7749502 0.80 CCNE1 (0.47) HSP90AB1HSP90AA1CCNE1CDK2CDK1

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-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP disclosed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO disclosed