SCHEMBL9569374

SCHEMBL9569374

CCOc1nc(N)nc2nc([C@@H]3O[C@H](CO)[C@@H](O)C3(F)F)[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 11/20 0.35
CDK2 P24941 11/20 0.35
CDK1 P06493 11/20 0.35
CCNB1 P14635 11/20 0.35
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC29A1 Q99808 1/20 0.33
ENPP1 P22413 1/20 0.33
CCNA1 P78396 7/20 0.31
MGMT P16455 2/20 0.31
PIN1 Q13526 1/20 0.31

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
SCHEMBL9569340 0.89 PDE4D (0.34) CCNA2CDK2CDK1CCNB1PDE4D
SCHEMBL9569349 0.84 PDE4D (0.34) PDE4DPDE3ASLC29A1
SCHEMBL8713050 0.82 PDE4D (0.37) PDE4DPDE3ASLC29A1
SCHEMBL9569318 0.81 PDE4D (0.34) CDK2PDE4DPDE3ASLC29A1
SCHEMBL9569360 0.81 ADORA3 (0.36) PDE4DPDE3ASLC29A1
SCHEMBL9569319 0.81 PDE4D (0.32) PDE4DPDE3ASLC29A1
SCHEMBL9569342 0.79 PDE4D (0.33) PDE4DPDE3ASLC29A1
SCHEMBL9569350 0.79 PDE4D (0.32) PDE4DPDE3ASLC29A1
SCHEMBL9569323 0.75 PDE4D (0.36) PDE4DPDE3ASLC29A1
SCHEMBL10383666 0.67 CDK1 (0.47) CCNA2CDK2CDK1CCNB1ENPP1

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-0576227-A2 2'-Deoxy-2',2'-difluoro(2,6,8-substituted) purine nucleosides having anti-viral and anti-cancer activity and intermediates ELI LILLY AND COMPANY (US) 1993-12-29 EP claimed
EP-0576227-A2 2'-Deoxy-2',2'-difluoro(2,6,8-substituted) purine nucleosides having anti-viral and anti-cancer activity and intermediates ELI LILLY AND COMPANY (US) 1993-12-29 EP disclosed