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SCHEMBL9705652

SCHEMBL9705652

O=c1[nH]c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 13/20 0.58
▸ NT5E P21589 1/20 0.47
▸ TAS1R3 Q7RTX0 2/20 0.46
▸ TAS1R1 Q7RTX1 2/20 0.46
▸ HINT1 P49773 1/20 0.45
▸ IMPDH2 P12268 1/20 0.44
▸ ADORA1 P30542 1/20 0.43

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
SCHEMBL9706215 0.89 TAS1R3 (0.60) TYMPNT5ETAS1R3TAS1R1HINT1
SCHEMBL9705299 0.89 TYMP (0.56) TYMPNT5ETAS1R3TAS1R1HINT1
SCHEMBL9705378 0.87 TYMP (0.54) TYMPNT5ETAS1R3TAS1R1HINT1
SCHEMBL34234 0.87 TYMP (0.64) TYMPNT5ETAS1R3TAS1R1HINT1
SCHEMBL31160244 0.81 TYMP (0.62) TYMPADORA1
SCHEMBL18797886 0.81 TYMP (0.62) TYMPADORA1
SCHEMBL18797888 0.81 TYMP (0.62) TYMPADORA1
SCHEMBL9705754 0.81 TYMP (0.54) TYMPNT5ETAS1R3TAS1R1HINT1
SCHEMBL34927 0.81 TYMP (0.64) TYMPNT5ETAS1R3TAS1R1HINT1
SCHEMBL7632105 0.79 TYMP (0.51) TYMPTAS1R3TAS1R1ADORA1

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 2 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
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 — — WO disclosed