SCHEMBL8624607

SCHEMBL8624607

Nc1ncc2ncn([C@@H]3O[C@H](CO)C[C@H]3F)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
NT5E P21589 2/20 0.39
SLC29A1 Q99808 3/20 0.38
DNMT1 P26358 2/20 0.37
ADRB1 P08588 1/20 0.37
CYP2C19 P33261 1/20 0.36
STING1 Q86WV6 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL8624601 1.00 KDM4E (0.42) KDM4EPKMNT5ESLC29A1DNMT1
SCHEMBL2587019 0.87 KDM4E (0.45) KDM4EPKMSLC29A1DNMT1ADRB1
SCHEMBL10444560 0.86 NT5E (0.42) KDM4EPKMNT5ELMNATP53
SCHEMBL8620282 0.84 SLC29A1 (0.46) NT5ESLC29A1CYP2C19LMNAADORA3
SCHEMBL8620275 0.84 SLC29A1 (0.46) NT5ESLC29A1CYP2C19LMNAADORA3
SCHEMBL8620317 0.82 AHCY (0.54) NT5ESLC29A1CYP2C19LMNATP53
SCHEMBL13713932 0.82 AHCY (0.54) NT5ESLC29A1CYP2C19LMNATP53
SCHEMBL13873163 0.82 AHCY (0.54) NT5ESLC29A1CYP2C19LMNATP53
SCHEMBL9153369 0.82 DNMT1 (0.49) KDM4EPKMDNMT1ADRB1GMNN
SCHEMBL13890093 0.82 AHCY (0.54) NT5ESLC29A1CYP2C19LMNATP53

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 4 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
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