SCHEMBL8620546

SCHEMBL8620546

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.49
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
SLC29A1 Q99808 5/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
PDE2A O00408 1/20 0.45
ADORA2A P29274 1/20 0.45
ADRA1A P35348 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
CYP2C19 P33261 1/20 0.43
AHCY P23526 1/20 0.42
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41

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
SCHEMBL8620551 1.00 NT5E (0.49) NT5ELMNATP53SLC29A1ADORA3
SCHEMBL13890093 0.89 AHCY (0.54) NT5ELMNATP53SLC29A1ADORA3
SCHEMBL13713932 0.89 AHCY (0.54) NT5ELMNATP53SLC29A1ADORA3
SCHEMBL8620311 0.89 AHCY (0.54) NT5ELMNATP53SLC29A1ADORA3
SCHEMBL13873163 0.89 AHCY (0.54) NT5ELMNATP53SLC29A1ADORA3
SCHEMBL8620317 0.89 AHCY (0.54) NT5ELMNATP53SLC29A1ADORA3
SCHEMBL8618540 0.88 SLC29A1 (0.46) NT5ELMNASLC29A1ADORA3ADORA1
SCHEMBL8620282 0.88 SLC29A1 (0.46) NT5ELMNASLC29A1ADORA3ADORA1
SCHEMBL8623428 0.88 SLC29A1 (0.46) NT5ELMNASLC29A1ADORA3ADORA1
SCHEMBL8623422 0.88 SLC29A1 (0.46) NT5ELMNASLC29A1ADORA3ADORA1

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-0349928-A2 Purine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-01-10 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-0349928-A2 Purine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-01-10 EP disclosed