SCHEMBL8610899

SCHEMBL8610899

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.82
TYMP P19971 9/20 0.79
SMN1; SMN2 Q16637 2/20 0.64
ADORA3 P0DMS8 2/20 0.64
ADORA2A P29274 2/20 0.64
ADORA2B P29275 2/20 0.64
DPP4 P27487 1/20 0.64
MEN1 O00255 1/20 0.64
SLC28A1 O00337 1/20 0.64
MAP3K7 O43318 1/20 0.64
SLC28A2 O43868 1/20 0.64
GAPDH P04406 1/20 0.64
MAPK1 P28482 1/20 0.64
STAT6 P42226 1/20 0.64
PI4KA P42356 1/20 0.64
KMT2A Q03164 1/20 0.64
PI4K2B Q8TCG2 1/20 0.64
DOT1L Q8TEK3 1/20 0.64
SLC29A1 Q99808 1/20 0.64
PI4K2A Q9BTU6 1/20 0.64

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
SCHEMBL8610903 1.00 ADORA1 (0.82) ADORA1TYMPSMN1; SMN2ADORA3ADORA2A
SCHEMBL31484253 1.00 ADORA1 (0.82) ADORA1TYMPSMN1; SMN2ADORA3ADORA2A
SCHEMBL16715145 0.93 ADORA1 (0.75) ADORA1TYMPSMN1; SMN2DNPH1PRKAB2
SCHEMBL1068571 0.93 ADORA1 (0.75) ADORA1TYMPSMN1; SMN2DNPH1PRKAB2
SCHEMBL8359104 0.93 ADORA1 (0.75) ADORA1TYMPSMN1; SMN2DNPH1PRKAB2
SCHEMBL15993919 0.93 ADORA1 (0.75) ADORA1TYMPSMN1; SMN2DNPH1PRKAB2
SCHEMBL6271785 0.92 NT5E (0.73) ADORA1TYMP
SCHEMBL6271787 0.92 NT5E (0.73) ADORA1TYMP
SCHEMBL3318862 0.92 NT5E (0.73) ADORA1TYMP
SCHEMBL5859561 0.91 ADORA1 (0.72) ADORA1TYMPSMN1; SMN2DNPH1PRKAB2

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