SCHEMBL8616627

SCHEMBL8616627

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 6/20 0.44
ADORA2A P29274 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2B P29275 1/20 0.44
CYP2C19 P33261 1/20 0.43
NT5E P21589 2/20 0.43
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
AHCY P23526 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
SCHEMBL8616637 1.00 SLC29A1 (0.44) SLC29A1ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8621051 0.91 NT5E (0.47) SLC29A1ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8621057 0.91 NT5E (0.47) SLC29A1ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8619465 0.90 SLC29A1 (0.44) SLC29A1ADORA2AADORA3ADORA1CYP2C19
SCHEMBL8619475 0.90 SLC29A1 (0.44) SLC29A1ADORA2AADORA3ADORA1CYP2C19
SCHEMBL23584291 0.89 ADORA2A (0.45) SLC29A1ADORA2AADORA3ADORA1ADORA2B
SCHEMBL10266182 0.89 ADORA2A (0.45) SLC29A1ADORA2AADORA3ADORA1ADORA2B
SCHEMBL13469562 0.89 ADORA2A (0.45) SLC29A1ADORA2AADORA3ADORA1ADORA2B
SCHEMBL8624690 0.87 NT5E (0.45) SLC29A1ADORA3ADORA1ADORA2BCYP2C19
SCHEMBL8624686 0.87 NT5E (0.45) SLC29A1ADORA3ADORA1ADORA2BCYP2C19

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
US-5817799-A 2'-Fluorofuranosyl derivatives and methods for preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-10-06 US disclosed
EP-0540686-B1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1995-08-30 EP disclosed
US-5336764-A 2'-fluorofuranosyl derivatives and novel method of preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-08-09 US disclosed