SCHEMBL8943541

SCHEMBL8943541

CC1(C)[C@]2(O)[C@H](n3cnc4c(N)ncnc43)O[C@H](CSCCO)[C@]12O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.55
PI4KA P42356 2/20 0.48
PI4K2B Q8TCG2 2/20 0.48
PI4K2A Q9BTU6 2/20 0.48
PI4KB Q9UBF8 2/20 0.48
DOT1L Q8TEK3 3/20 0.48
DNMT3B Q9UBC3 2/20 0.48
PNMT P11086 1/20 0.48
DNMT1 P26358 1/20 0.48
ADORA3 P0DMS8 2/20 0.47
PRMT7 Q9NVM4 1/20 0.46
AHCY P23526 3/20 0.44
NADK O95544 1/20 0.44
DPP4 P27487 1/20 0.43
MEN1 O00255 1/20 0.43
SLC28A1 O00337 1/20 0.43
MAP3K7 O43318 1/20 0.43
SLC28A2 O43868 1/20 0.43
GAPDH P04406 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL8943868 0.92 ADORA2A (0.53) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL5554234 0.88 ADORA2A (0.56) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28156591 0.87 ADORA2A (0.64) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL1078828 0.87 ADORA2A (0.64) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL19692161 0.85 ADORA2A (0.58) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11040343 0.85 ADORA2A (0.58) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8943715 0.84 ADORA2A (0.57) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8943533 0.84 ADORA2A (0.53) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL8943859 0.83 ADORA2A (0.52) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9054202 0.82 ADORA2A (0.55) ADORA2API4KAPI4K2BPI4K2API4KB

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
US-5563125-A 5'-deoxy-5'-(substituted)alkylthioribose compounds and their pharmaceutical compositions HEALTH RESEARCH, INC. (US) 1996-10-08 US disclosed
EP-0555352-A1 AGENTS FOR THE TREATMENT OF DISEASES CAUSED BY PARASITIC PROTOZOA AND NEOPLASTIC DISEASES HEALTH RESEARCH, INC. (US) 1993-08-18 EP disclosed
US-5180714-A ADENOSINE COMPOUNDS FOR THE TREATMENT OF DISEASES CAUSED BY PARASITIC PROTOZOA HEALTH RESEARCH, INC. (US) 1993-01-19 US disclosed
WO-1992007570-A1 AGENTS FOR THE TREATMENT OF DISEASES CAUSED BY PARASITIC PROTOZOA AND NEOPLASTIC DISEASES HEALTH RESEARCH, INC. (US) 1992-05-14 WO disclosed