SCHEMBL8613385

SCHEMBL8613385

Nc1nc(S)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H](OC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H]3F)c2n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 9/20 0.46
PDE2A O00408 2/20 0.46
NT5E P21589 5/20 0.42
ADORA1 P30542 2/20 0.42
SLC29A1 Q99808 2/20 0.41

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
SCHEMBL8613116 0.91 PDE2A (0.53) TYMPPDE2ANT5EADORA1
SCHEMBL8613109 0.91 PDE2A (0.53) TYMPPDE2ANT5EADORA1
SCHEMBL8613331 0.90 TYMP (0.46) TYMPPDE2ANT5EADORA1
SCHEMBL8613736 0.90 TYMP (0.54) TYMPPDE2ANT5E
SCHEMBL8613729 0.90 TYMP (0.54) TYMPPDE2ANT5E
SCHEMBL8611229 0.88 TYMP (0.45) TYMPPDE2ANT5EADORA1SLC29A1
SCHEMBL8611227 0.88 TYMP (0.45) TYMPPDE2ANT5EADORA1SLC29A1
SCHEMBL8614637 0.87 TYMP (0.56) TYMPPDE2ANT5EADORA1SLC29A1
SCHEMBL8609626 0.84 TYMP (0.43) TYMPPDE2ANT5EADORA1
SCHEMBL8609630 0.84 TYMP (0.43) TYMPPDE2ANT5EADORA1

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