SCHEMBL8943533

SCHEMBL8943533

CC(O)SC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@]2(O)C(C)(C)[C@]12O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.53
ADORA3 P0DMS8 3/20 0.47
PI4KA P42356 2/20 0.46
PI4K2B Q8TCG2 2/20 0.46
PI4K2A Q9BTU6 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
AHCY P23526 4/20 0.44
NADK O95544 1/20 0.44
DOT1L Q8TEK3 2/20 0.43
ADORA1 P30542 2/20 0.41
DPP4 P27487 1/20 0.41
MEN1 O00255 1/20 0.41
SLC28A1 O00337 1/20 0.41
MAP3K7 O43318 1/20 0.41
SLC28A2 O43868 1/20 0.41
GAPDH P04406 1/20 0.41
MAPK1 P28482 1/20 0.41
ADORA2B P29275 1/20 0.41
STAT6 P42226 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8943859 0.91 ADORA2A (0.52) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL5554234 0.88 ADORA2A (0.56) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL28156591 0.85 ADORA2A (0.64) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL11040343 0.85 ADORA2A (0.58) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL1078828 0.85 ADORA2A (0.64) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL19692161 0.85 ADORA2A (0.58) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL8943715 0.84 ADORA2A (0.57) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL8943541 0.84 ADORA2A (0.55) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL8943868 0.84 ADORA2A (0.53) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL9054202 0.82 ADORA2A (0.55) ADORA2AADORA3PI4KAPI4K2BPI4K2A

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