SCHEMBL8610982

SCHEMBL8610982

O[C@@H]1[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.83
ADORA1 P30542 2/20 0.54
SLC29A1 Q99808 2/20 0.47
DNPH1 O43598 1/20 0.45

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
SCHEMBL8613000 0.93 TYMP (0.83) TYMPADORA1SLC29A1DNPH1
SCHEMBL22458597 0.91 TYMP (1.00) TYMPADORA1SLC29A1DNPH1
SCHEMBL1796310 0.91 TYMP (1.00) TYMPADORA1SLC29A1DNPH1
SCHEMBL5270000 0.91 TYMP (1.00) TYMPADORA1SLC29A1DNPH1
SCHEMBL8610332 0.90 TYMP (0.67) TYMPADORA1SLC29A1DNPH1
SCHEMBL8612951 0.89 TYMP (0.71) TYMPADORA1SLC29A1
SCHEMBL8612956 0.89 TYMP (0.71) TYMPADORA1SLC29A1
SCHEMBL1799129 0.88 TYMP (0.75) TYMPADORA1
SCHEMBL1799127 0.88 TYMP (0.75) TYMPADORA1
SCHEMBL1799132 0.88 TYMP (0.75) TYMPADORA1

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