SCHEMBL8613274

SCHEMBL8613274

Nc1nc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c(=S)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 14/20 0.65
▸ ADORA1 P30542 2/20 0.58
▸ HINT1 P49773 2/20 0.54
▸ GSK3A P49840 1/20 0.51
▸ RPS6KA3 P51812 1/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ NT5E P21589 1/20 0.51

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
SCHEMBL8612269 0.91 TYMP (0.55) TYMPADORA1HINT1GSK3ARPS6KA3
SCHEMBL8612185 0.91 TYMP (0.55) TYMPADORA1HINT1GSK3ARPS6KA3
SCHEMBL8610521 0.89 TYMP (0.63) TYMPADORA1HINT1NT5E
SCHEMBL10904155 0.89 TYMP (0.76) TYMPADORA1HINT1GSK3ARPS6KA3
SCHEMBL1904550 0.89 TYMP (0.76) TYMPADORA1HINT1GSK3ARPS6KA3
SCHEMBL8613382 0.84 TYMP (0.47) TYMPADORA1NT5E
SCHEMBL6420722 0.83 TYMP (0.79) TYMPADORA1HINT1GSK3ARPS6KA3
SCHEMBL8612754 0.83 TYMP (0.67) TYMPADORA1HINT1NT5E
SCHEMBL574741 0.83 ADORA3 (0.65) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL8610719 0.82 TYMP (0.75) 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
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