SCHEMBL8611069

SCHEMBL8611069

CSc1nc(F)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 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 14/20 0.62
ADORA1 P30542 2/20 0.55
SLC29A1 Q99808 2/20 0.49
CA5A P35218 1/20 0.49
LMNA P02545 1/20 0.48
NT5E P21589 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL8610301 0.92 TYMP (0.52) TYMPADORA1SLC29A1CA5ALMNA
SCHEMBL8609957 0.92 TYMP (0.52) TYMPADORA1SLC29A1NT5E
SCHEMBL8614976 0.90 TYMP (0.62) TYMPADORA1SLC29A1
SCHEMBL8609006 0.87 TYMP (0.65) TYMPADORA1CA5ALMNANT5E
SCHEMBL8610725 0.86 NT5E (0.66) TYMPADORA1CA5ALMNANT5E
SCHEMBL8615088 0.86 TYMP (0.46) TYMPADORA1NT5E
SCHEMBL8615093 0.86 TYMP (0.46) TYMPADORA1NT5E
SCHEMBL8613075 0.86 TYMP (0.62) TYMPADORA1CA5ALMNANT5E
SCHEMBL8612804 0.85 TYMP (0.62) TYMPADORA1CA5ALMNANT5E
SCHEMBL7895839 0.82 TYMP (0.69) TYMPADORA1CA5ALMNANT5E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO claimed
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