SCHEMBL8612936

SCHEMBL8612936

Nc1nc(Cl)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H](OC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H]3O)c2n1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.63
NT5E P21589 5/20 0.53
ADORA1 P30542 2/20 0.50
HINT1 P49773 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
SCHEMBL8610048 0.93 TYMP (0.63) TYMPNT5EADORA1HINT1
SCHEMBL8612666 0.91 TYMP (0.56) TYMPNT5EADORA1HINT1
SCHEMBL8610719 0.91 TYMP (0.75) TYMPNT5EADORA1HINT1
SCHEMBL8613736 0.90 TYMP (0.54) TYMPNT5E
SCHEMBL8613729 0.90 TYMP (0.54) TYMPNT5E
SCHEMBL8609374 0.87 TYMP (0.52) TYMPADORA1
SCHEMBL8610982 0.87 TYMP (0.83) TYMPADORA1
SCHEMBL34927 0.85 TYMP (0.64) TYMPNT5EHINT1
SCHEMBL8613293 0.84 NT5E (0.56) TYMPNT5EADORA1
SCHEMBL8609070 0.84 TYMP (0.51) TYMPADORA1HINT1

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