SCHEMBL8613308

SCHEMBL8613308

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

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMP P19971 14/20 0.57
ADORA1 P30542 2/20 0.47
DNMT3B Q9UBC3 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
SCHEMBL8610247 0.93 TYMP (0.57) TYMPADORA1DNMT3B
SCHEMBL8610677 0.91 TYMP (0.68) TYMPADORA1DNMT3B
SCHEMBL8610717 0.89 TYMP (0.48) TYMPADORA1DNMT3B
SCHEMBL8610715 0.89 TYMP (0.48) TYMPADORA1DNMT3B
SCHEMBL8614561 0.85 TYMP (0.51) TYMPADORA1
SCHEMBL8609070 0.85 TYMP (0.51) TYMPADORA1
SCHEMBL8610332 0.83 TYMP (0.67) TYMPADORA1
SCHEMBL8610982 0.83 TYMP (0.83) TYMPADORA1
SCHEMBL8611790 0.81 TYMP (0.64) TYMPADORA1
SCHEMBL8611071 0.81 TYMP (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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