SCHEMBL8613293

SCHEMBL8613293

Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 6/20 0.56
LMNA P02545 1/20 0.56
HIF1A Q16665 1/20 0.56
CA5A P35218 1/20 0.54
TYMP P19971 9/20 0.54
ADORA1 P30542 2/20 0.54
DNMT1 P26358 1/20 0.48
DNMT3B Q9UBC3 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48

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
SCHEMBL8609998 0.93 CA5A (0.54) NT5ELMNAHIF1ACA5ATYMP
SCHEMBL8612666 0.91 TYMP (0.56) NT5ETYMPADORA1ADORA2AADORA2B
SCHEMBL8610725 0.91 NT5E (0.66) NT5ELMNAHIF1ACA5ATYMP
SCHEMBL8610783 0.90 TYMP (0.54) NT5ELMNAHIF1ACA5ATYMP
SCHEMBL8610859 0.90 TYMP (0.52) NT5ELMNAHIF1ACA5ATYMP
SCHEMBL8613815 0.87 TYMP (0.52) NT5ELMNAHIF1ACA5ATYMP
SCHEMBL8610301 0.87 TYMP (0.52) NT5ELMNAHIF1ACA5ATYMP
SCHEMBL7895839 0.85 TYMP (0.69) NT5ELMNAHIF1ACA5ATYMP
SCHEMBL8612936 0.84 TYMP (0.63) NT5ETYMPADORA1
SCHEMBL8610421 0.84 TYMP (0.56) NT5ETYMPADORA1

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
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO claimed
US-5750675-A 2'-\"up\" fluorinated 2'-deoxy-arabinofuranosylpurines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1998-05-12 US disclosed
US-5525720-A Synthesis of 2'-\"up\" fluorinated 2'-deoxy-arabinofuranosyl purines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-06-11 US disclosed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO disclosed