SCHEMBL9706215

SCHEMBL9706215

CC(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2OC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.60
TAS1R1 Q7RTX1 2/20 0.60
TYMP P19971 13/20 0.57
NT5E P21589 1/20 0.48
HINT1 P49773 1/20 0.46
IMPDH2 P12268 1/20 0.45
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
SCHEMBL9705378 0.92 TYMP (0.54) TAS1R3TAS1R1TYMPNT5EHINT1
SCHEMBL9705299 0.92 TYMP (0.56) TAS1R3TAS1R1TYMPNT5EHINT1
SCHEMBL9705652 0.89 TYMP (0.58) TAS1R3TAS1R1TYMPNT5EHINT1
SCHEMBL19841777 0.87 TYMP (0.71) TAS1R3TAS1R1TYMPHINT1IMPDH2
SCHEMBL30859099 0.87 TYMP (0.71) TAS1R3TAS1R1TYMPHINT1IMPDH2
SCHEMBL19841776 0.87 TYMP (0.59) TAS1R3TAS1R1TYMPNT5EHINT1
SCHEMBL9705754 0.86 TYMP (0.54) TAS1R3TAS1R1TYMPNT5EHINT1
SCHEMBL34234 0.86 TYMP (0.64) TAS1R3TAS1R1TYMPNT5EHINT1
SCHEMBL8611454 0.85 TYMP (0.52) TYMPNT5EADORA1
SCHEMBL29520771 0.83 TYMP (0.54) TAS1R3TAS1R1TYMPNT5EHINT1

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