SCHEMBL8614529

SCHEMBL8614529

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.53
NT5E P21589 5/20 0.50
PDE2A O00408 1/20 0.41
IMPDH2 P12268 1/20 0.40
HINT1 P49773 1/20 0.40

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 0.91 TYMP (0.55) TYMPNT5EPDE2AHINT1
SCHEMBL8613722 0.91 TYMP (0.55) TYMPNT5EPDE2AHINT1
SCHEMBL8613328 0.90 TYMP (0.46) TYMPNT5EPDE2A
SCHEMBL8612802 0.86 TYMP (0.72) TYMPNT5EPDE2A
SCHEMBL8613331 0.83 TYMP (0.46) TYMPNT5EPDE2A
SCHEMBL8609775 0.83 TYMP (0.48) TYMPNT5EPDE2A
SCHEMBL8613382 0.82 TYMP (0.47) TYMPNT5EPDE2A
SCHEMBL8613729 0.82 TYMP (0.54) TYMPNT5EPDE2A
SCHEMBL8613736 0.82 TYMP (0.54) TYMPNT5EPDE2A
SCHEMBL8613109 0.82 PDE2A (0.53) TYMPNT5EPDE2AHINT1

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