SCHEMBL8613672

SCHEMBL8613672

O[C@H]1[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](n2cnc3c(=S)[nH]c(F)nc32)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMP P19971 15/20 0.53
ADORA1 P30542 2/20 0.45
NT5E P21589 3/20 0.42

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
SCHEMBL8614431 0.93 TYMP (0.53) TYMPADORA1NT5E
SCHEMBL8610521 0.91 TYMP (0.63) TYMPADORA1NT5E
SCHEMBL8612185 0.90 TYMP (0.55) TYMPADORA1
SCHEMBL8613328 0.89 TYMP (0.46) TYMPADORA1NT5E
SCHEMBL8610523 0.85 TYMP (0.67) TYMPADORA1NT5E
SCHEMBL8612729 0.84 TYMP (0.54) TYMPADORA1NT5E
SCHEMBL8612269 0.83 TYMP (0.55) TYMPADORA1NT5E
SCHEMBL8609998 0.83 CA5A (0.54) TYMPADORA1NT5E
SCHEMBL8611294 0.82 TYMP (0.52) TYMPADORA1NT5E
SCHEMBL34234 0.82 TYMP (0.64) TYMPNT5E

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