SCHEMBL8007647

SCHEMBL8007647

NCCCCCO[C@@]1(n2cnc3c(N)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.45
ADORA2A P29274 3/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
PI4KA P42356 2/20 0.44
PI4K2B Q8TCG2 2/20 0.44
PI4K2A Q9BTU6 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
SLC28A1 O00337 2/20 0.44
DOT1L Q8TEK3 2/20 0.44
DPP4 P27487 1/20 0.44
MEN1 O00255 1/20 0.44
MAP3K7 O43318 1/20 0.44
SLC28A2 O43868 1/20 0.44
GAPDH P04406 1/20 0.44
MAPK1 P28482 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
STAT6 P42226 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL16094305 0.87 ADORA3 (0.41) ADORA3ADORA2AEGFRERBB2PI4KA
SCHEMBL29140449 0.86 PI4KA (0.46) ADORA3ADORA2AEGFRERBB2PI4KA
SCHEMBL31541268 0.86 PI4KA (0.46) ADORA3ADORA2AEGFRERBB2PI4KA
SCHEMBL3446750 0.85 PI4KA (0.48) ADORA3ADORA2AEGFRERBB2PI4KA
SCHEMBL3447136 0.83 ADORA3 (0.50) ADORA3ADORA2AEGFRERBB2PI4KA
SCHEMBL2297051 0.82 ADORA2A (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL25349321 0.81 ADORA3 (0.49) ADORA3ADORA2AEGFRERBB2PI4KA
SCHEMBL28351254 0.81 ADORA3 (0.51) ADORA3ADORA2AEGFRERBB2PI4KA
SCHEMBL8704526 0.81 AHCY (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL8612419 0.80 ADORA3 (0.47) ADORA3ADORA2AEGFRERBB2PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022691-A DETECTING A CHEMICAL OR DRUG IN A SAMPLE; CONTACTING THE SAMPLE WITH A NUCLEOTIDE SEQUENCE WHICH HYBRIDIZES TO A SPECIFIC TARGET MOLECULE, DETECTING BINDING OF NUCLEOTIDE SEQUENCES, BINDING IS INDICATION OF DRUG OR CHEMICAL PRESENT ISIS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
US-5747253-A Combinatorial oligomer immunoabsorbant screening assay for transcription factors and other biomolecule binding ISIS PHARMACEUTICALS, INC. (US) 1998-05-05 US disclosed
US-5698391-A DETERMINATION OF TARGET PROPERTY; BIOSYNTHESIS CYCLES ISIS PHARMACEUTICALS, INC. (US) 1997-12-16 US disclosed
US-5686242-A Determination of oligonucleotides for therapeutics, diagnostics and research reagents ISIS PHARMACEUTICALS, INC. (US) 1997-11-11 US disclosed
US-5672472-A REPEATED ENZYME-FREE SYNTHESIS OF INCREASINGLY SIMPLIFIED SETS OF OLIGONUCLEOTIDES WHILE DETERMINING WHICH SEQUENCE HAS HIGHEST TARGET ACTIVITY ISIS PHARMACEUTICALS, INC. (US) 1997-09-30 US disclosed
EP-0673435-A4 1995-10-25 EP disclosed
EP-0673435-A1 SYNTHETIC UNRANDOMIZATION OF OLIGOMER FRAGMENTS ISIS PHARMACEUTICALS, INC. (US) 1995-09-27 EP disclosed
WO-1994021825-A1 COMBINATORIAL OLIGOMER IMMUNOABSORBANT SCREENING ASSAY FOR TRANSCRIPTION FACTORS AND OTHER BIOMOLECULE BINDING ISIS PHARMACEUTICALS, INC. (US) 1994-09-29 WO disclosed
WO-1993005182-A1 DETERMINATION OF OLIGONUCLEOTIDES FOR THERAPEUTICS, DIAGNOSTICS AND RESEARCH REAGENTS ISIS PHARMACEUTICALS, INC. (US) 1993-03-18 WO disclosed
WO-1993004204-A1 SYNTHETIC UNRANDOMIZATION OF OLIGOMER FRAGMENTS ISIS PHARMACEUTICALS, INC. (US) 1993-03-04 WO disclosed