SCHEMBL8612341

SCHEMBL8612341

CSc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.63
ADORA1 P30542 2/20 0.54
SLC29A1 Q99808 4/20 0.53
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
STAT6 P42226 1/20 0.47
NT5E P21589 1/20 0.46

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
SCHEMBL8610799 0.93 TYMP (0.63) TYMPADORA1SLC29A1TP53SMN1; SMN2
SCHEMBL8610263 0.89 TYMP (0.54) TYMPADORA1SLC29A1TP53SMN1; SMN2
SCHEMBL8610259 0.89 TYMP (0.54) TYMPADORA1SLC29A1TP53SMN1; SMN2
SCHEMBL8611837 0.88 TYMP (0.67) TYMPADORA1SLC29A1NT5E
SCHEMBL8610275 0.87 TYMP (0.52) TYMPADORA1SLC29A1
SCHEMBL8609957 0.87 TYMP (0.52) TYMPADORA1SLC29A1NT5E
SCHEMBL8613000 0.87 TYMP (0.83) TYMPADORA1SLC29A1NT5E
SCHEMBL8613151 0.86 TYMP (0.63) TYMPADORA1
SCHEMBL8614133 0.85 TYMP (0.64) TYMPADORA1SLC29A1NT5E
SCHEMBL18797886 0.84 TYMP (0.62) TYMPADORA1SLC29A1SMN1; SMN2

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