SCHEMBL8613075

SCHEMBL8613075

CN(C)c1nc(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 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 14/20 0.62
ADORA1 P30542 2/20 0.55
CA5A P35218 1/20 0.49
NT5E P21589 3/20 0.48
LMNA P02545 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
SCHEMBL8612918 0.92 TYMP (0.52) TYMPADORA1CA5ANT5E
SCHEMBL8613815 0.92 TYMP (0.52) TYMPADORA1CA5ANT5ELMNA
SCHEMBL8609006 0.87 TYMP (0.65) TYMPADORA1CA5ANT5ELMNA
SCHEMBL8610725 0.86 NT5E (0.66) TYMPADORA1CA5ANT5ELMNA
SCHEMBL8611069 0.86 TYMP (0.62) TYMPADORA1CA5ANT5ELMNA
SCHEMBL8612804 0.85 TYMP (0.62) TYMPADORA1CA5ANT5ELMNA
SCHEMBL7895839 0.82 TYMP (0.69) TYMPADORA1CA5ANT5ELMNA
SCHEMBL8609314 0.81 TYMP (0.61) TYMPADORA1
SCHEMBL8610521 0.80 TYMP (0.63) TYMPADORA1NT5E
SCHEMBL8612754 0.79 TYMP (0.67) 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 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