SCHEMBL8614976

SCHEMBL8614976

CSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.62
ADORA1 P30542 2/20 0.59
SLC29A1 Q99808 6/20 0.58
HINT1 P49773 1/20 0.53

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
SCHEMBL8610275 0.92 TYMP (0.52) TYMPADORA1SLC29A1HINT1
SCHEMBL8609374 0.92 TYMP (0.52) TYMPADORA1SLC29A1
SCHEMBL8614413 0.91 SLC29A1 (0.63) TYMPADORA1SLC29A1
SCHEMBL8611069 0.90 TYMP (0.62) TYMPADORA1SLC29A1
SCHEMBL8612754 0.88 TYMP (0.67) TYMPADORA1HINT1
SCHEMBL8610719 0.86 TYMP (0.75) TYMPADORA1HINT1
SCHEMBL8611229 0.85 TYMP (0.45) TYMPADORA1SLC29A1
SCHEMBL8611227 0.85 TYMP (0.45) TYMPADORA1SLC29A1
SCHEMBL8609957 0.81 TYMP (0.52) TYMPADORA1SLC29A1
SCHEMBL8610301 0.81 TYMP (0.52) TYMPADORA1SLC29A1

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 3 patents. 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 disclosed
US-5525720-A Synthesis of 2'-\"up\" fluorinated 2'-deoxy-arabinofuranosyl purines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-06-11 US disclosed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO disclosed