SCHEMBL5982891

SCHEMBL5982891

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1OCCCn1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.61
ADORA3 P0DMS8 4/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
MAPK1 P28482 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA2B P29275 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
DOT1L Q8TEK3 1/20 0.60
SLC29A1 Q99808 1/20 0.60
PI4K2A Q9BTU6 1/20 0.60
SLC28A3 Q9HAS3 1/20 0.60

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
SCHEMBL5982880 1.00 ADORA1 (0.61) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL5983004 0.97 ADORA1 (0.60) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL4556302 0.97 ADORA1 (0.60) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL5983294 0.90 ADORA3 (0.59) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL5983285 0.90 ADORA3 (0.59) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL1737176 0.86 ADORA2A (0.51) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL5982371 0.86 ADORA2A (0.51) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL14425024 0.85 ADORA3 (0.69) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL5980036 0.85 ADORA3 (0.69) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL5980045 0.85 ADORA3 (0.69) ADORA1ADORA3DPP4MEN1SLC28A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037646-B1 Amine-derivatized nucleosides and oligonucleosides ISIS PHARMACEUTICALS, INC. (US) 2006-05-02 US disclosed
EP-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 EP disclosed
EP-0728139-B1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS INC (US) 2003-08-13 EP disclosed
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 US disclosed
EP-0728139-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1996-08-28 EP disclosed
WO-1995006659-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1995-03-09 WO disclosed