SCHEMBL8612903

SCHEMBL8612903

Nc1ncc2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H](O)[C@H]3OC(c3ccccc3)(c3ccccc3)c3ccccc3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 15/20 0.51
ADORA1 P30542 2/20 0.45
HINT1 P49773 1/20 0.40
NT5E P21589 1/20 0.40

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
SCHEMBL8609070 0.93 TYMP (0.51) TYMPADORA1HINT1
SCHEMBL8613742 0.91 TYMP (0.61) TYMPADORA1HINT1NT5E
SCHEMBL8613137 0.89 TYMP (0.51) TYMPADORA1NT5E
SCHEMBL8609626 0.88 TYMP (0.43) TYMPADORA1NT5E
SCHEMBL8609630 0.88 TYMP (0.43) TYMPADORA1NT5E
SCHEMBL8614262 0.86 TYMP (0.49) TYMPADORA1
SCHEMBL8610421 0.86 TYMP (0.56) TYMPADORA1HINT1NT5E
SCHEMBL8610247 0.85 TYMP (0.57) TYMPADORA1
SCHEMBL8610479 0.85 TYMP (0.47) TYMPNT5E
SCHEMBL8610048 0.84 TYMP (0.63) TYMPADORA1HINT1NT5E

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