SCHEMBL8610677

SCHEMBL8610677

O[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1cnc2cncnc21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMP P19971 14/20 0.68
ADORA1 P30542 2/20 0.56
DNMT3B Q9UBC3 1/20 0.52

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
SCHEMBL8613308 0.91 TYMP (0.57) TYMPADORA1DNMT3B
SCHEMBL8610247 0.91 TYMP (0.57) TYMPADORA1DNMT3B
SCHEMBL21427352 0.85 TYMP (0.56) TYMPADORA1
SCHEMBL8613742 0.84 TYMP (0.61) TYMPADORA1
SCHEMBL8609314 0.84 TYMP (0.61) TYMPADORA1
SCHEMBL4839933 0.83 DNMT3B (0.50) TYMPADORA1DNMT3B
SCHEMBL8610717 0.83 TYMP (0.48) TYMPADORA1DNMT3B
SCHEMBL8610715 0.83 TYMP (0.48) TYMPADORA1DNMT3B
SCHEMBL29822417 0.82 TYMP (0.80) TYMPADORA1
SCHEMBL18044398 0.82 TYMP (0.80) TYMPADORA1

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