SCHEMBL8620311

SCHEMBL8620311

Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)C[C@@H]3F)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.54
NT5E P21589 4/20 0.50
ADORA2A P29274 5/20 0.49
ADORA3 P0DMS8 2/20 0.49
PDE4D Q08499 2/20 0.49
PDE3A Q14432 2/20 0.49
PDE2A O00408 1/20 0.49
ADORA1 P30542 1/20 0.49
ADRA1A P35348 1/20 0.49
LMNA P02545 2/20 0.49
HIF1A Q16665 1/20 0.49
HSP90B1 P14625 1/20 0.47
SLC29A1 Q99808 1/20 0.47
ADORA2B P29275 3/20 0.46
CYP2C19 P33261 1/20 0.45
PNP P00491 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL13713932 1.00 AHCY (0.54) AHCYNT5EADORA2AADORA3PDE4D
SCHEMBL13890093 1.00 AHCY (0.54) AHCYNT5EADORA2AADORA3PDE4D
SCHEMBL8620317 1.00 AHCY (0.54) AHCYNT5EADORA2AADORA3PDE4D
SCHEMBL13873163 1.00 AHCY (0.54) AHCYNT5EADORA2AADORA3PDE4D
SCHEMBL8618543 0.90 SLC29A1 (0.46) AHCYNT5EADORA2AADORA3PDE4D
SCHEMBL8623428 0.90 SLC29A1 (0.46) AHCYNT5EADORA2AADORA3PDE4D
SCHEMBL8620282 0.90 SLC29A1 (0.46) AHCYNT5EADORA2AADORA3PDE4D
SCHEMBL8618540 0.90 SLC29A1 (0.46) AHCYNT5EADORA2AADORA3PDE4D
SCHEMBL8623422 0.90 SLC29A1 (0.46) AHCYNT5EADORA2AADORA3PDE4D
SCHEMBL8923952 0.90 NT5E (0.62) AHCYNT5EADORA2AADORA3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314011-A2 Purine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-05-03 EP claimed
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
WO-1992001700-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-02-06 WO disclosed
EP-0314011-A2 Purine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-05-03 EP disclosed