SCHEMBL8613722

SCHEMBL8613722

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 10/20 0.55
NT5E P21589 2/20 0.49
HINT1 P49773 2/20 0.49
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
MAPK14 Q16539 2/20 0.47
PNP P00491 1/20 0.45
PDE2A O00408 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL8613718 1.00 TYMP (0.55) TYMPNT5EHINT1GSK3ARPS6KA3
SCHEMBL35087 0.91 TYMP (0.54) TYMPNT5EHINT1GSK3ARPS6KA3
SCHEMBL8614529 0.91 TYMP (0.53) TYMPNT5EHINT1PDE2A
SCHEMBL8613382 0.90 TYMP (0.47) TYMPNT5EPDE2A
SCHEMBL34927 0.90 TYMP (0.64) TYMPNT5EHINT1GSK3ARPS6KA3
SCHEMBL34234 0.88 TYMP (0.64) TYMPNT5EHINT1GSK3ARPS6KA3
SCHEMBL8612802 0.87 TYMP (0.72) TYMPNT5EGSK3ARPS6KA3MAPK14
SCHEMBL8613729 0.85 TYMP (0.54) TYMPNT5EPDE2A
SCHEMBL8613736 0.85 TYMP (0.54) TYMPNT5EPDE2A
SCHEMBL1904550 0.84 TYMP (0.76) TYMPNT5EHINT1GSK3ARPS6KA3

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 1 patent. 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 claimed