SCHEMBL9569323

SCHEMBL9569323

Nc1ncc2[nH]c([C@@H]3O[C@H](CO)[C@@H](O)C3(F)F)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC29A1 Q99808 1/20 0.36
ALDH1A1 P00352 2/20 0.32
GMNN O75496 2/20 0.31
LMNA P02545 2/20 0.31
NFKB1 P19838 2/20 0.31
BLM P54132 2/20 0.31
PMP22 Q01453 2/20 0.31
DNMT1 P26358 2/20 0.31
TP53 P04637 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
HBB P68871 1/20 0.31
CDA P32320 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9569363 0.82 GRIN2B (0.35)
SCHEMBL8713050 0.78 PDE4D (0.37) PDE4DPDE3ASLC29A1CDA
SCHEMBL9569349 0.77 PDE4D (0.34) PDE4DPDE3ASLC29A1
SCHEMBL9569318 0.77 PDE4D (0.34) PDE4DPDE3ASLC29A1
SCHEMBL9569374 0.75 CCNA2 (0.35) PDE4DPDE3ASLC29A1
SCHEMBL9569350 0.74 PDE4D (0.32) PDE4DPDE3ASLC29A1
SCHEMBL9569319 0.74 PDE4D (0.32) PDE4DPDE3ASLC29A1
SCHEMBL9569360 0.74 ADORA3 (0.36) PDE4DPDE3ASLC29A1
SCHEMBL9569340 0.74 PDE4D (0.34) PDE4DPDE3ASLC29A1CDA
SCHEMBL9569342 0.73 PDE4D (0.33) PDE4DPDE3ASLC29A1

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-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