SCHEMBL8610240

SCHEMBL8610240

NCc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1F

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.54
ADORA1 P30542 2/20 0.47
NT5E P21589 2/20 0.46
PDE2A O00408 1/20 0.41
SLC29A1 Q99808 2/20 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
SCHEMBL8610234 1.00 TYMP (0.54) TYMPADORA1NT5EPDE2ASLC29A1
SCHEMBL8611790 0.90 TYMP (0.64) TYMPADORA1NT5ESLC29A1
SCHEMBL8612807 0.89 TYMP (0.58) TYMPADORA1NT5ESLC29A1
SCHEMBL8614133 0.88 TYMP (0.64) TYMPADORA1NT5ESLC29A1
SCHEMBL8612951 0.88 TYMP (0.71) TYMPADORA1NT5EPDE2ASLC29A1
SCHEMBL8612956 0.88 TYMP (0.71) TYMPADORA1NT5EPDE2ASLC29A1
SCHEMBL8614637 0.88 TYMP (0.56) TYMPADORA1NT5EPDE2ASLC29A1
SCHEMBL8610259 0.86 TYMP (0.54) TYMPADORA1NT5ESLC29A1
SCHEMBL8610263 0.86 TYMP (0.54) TYMPADORA1NT5ESLC29A1
SCHEMBL8612735 0.85 TYMP (0.54) TYMPADORA1NT5E

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