SCHEMBL8611906

SCHEMBL8611906

O=C(Nc1ncc2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H](OC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H]3F)c2n1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.43
TYMP P19971 13/20 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
SCHEMBL8611900 1.00 NT5E (0.43) NT5ETYMP
SCHEMBL8614306 0.92 TYMP (0.47) NT5ETYMP
SCHEMBL8610479 0.90 TYMP (0.47) NT5ETYMP
SCHEMBL8610180 0.89 TYMP (0.43) NT5ETYMP
SCHEMBL8610184 0.89 TYMP (0.43) NT5ETYMP
SCHEMBL8610634 0.87 NT5E (0.46) NT5ETYMP
SCHEMBL8610629 0.87 NT5E (0.46) NT5ETYMP
SCHEMBL8614558 0.86 TYMP (0.55) TYMP
SCHEMBL8609626 0.84 TYMP (0.43) NT5ETYMP
SCHEMBL8609630 0.84 TYMP (0.43) NT5ETYMP

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