SCHEMBL9347293

SCHEMBL9347293

OC[C@H]1OC(n2cnc3c(=S)[nH]ccc32)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.50
ADORA2B P29275 2/20 0.50
DPP4 P27487 1/20 0.50
PAX8 Q06710 1/20 0.50
MEN1 O00255 1/20 0.50
SLC28A1 O00337 1/20 0.50
MAP3K7 O43318 1/20 0.50
SLC28A2 O43868 1/20 0.50
GAPDH P04406 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
MAPK1 P28482 1/20 0.50
ADORA1 P30542 1/20 0.50
STAT6 P42226 1/20 0.50
PI4KA P42356 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
DOT1L Q8TEK3 1/20 0.50
SLC29A1 Q99808 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50

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
SCHEMBL11122063 1.00 ADORA2A (0.50) ADORA2AADORA2BDPP4PAX8MEN1
SCHEMBL11123739 0.86 PAX8 (0.58) ADORA2AADORA2BDPP4PAX8MEN1
SCHEMBL18490525 0.86 PAX8 (0.58) ADORA2AADORA2BDPP4PAX8MEN1
Thioinosine SCHEMBL3437227 0.80 ADORA2A (0.63) ADORA2AADORA2BDPP4PAX8MEN1
Thioinosine SCHEMBL21423102 0.80 ADORA2A (0.63) ADORA2AADORA2BDPP4PAX8MEN1
Thioinosine SCHEMBL19657188 0.80 ADORA2A (0.63) ADORA2AADORA2BDPP4PAX8MEN1
Thioinosine SCHEMBL9791053 0.80 ADORA2A (0.63) ADORA2AADORA2BDPP4PAX8MEN1
Thioinosine SCHEMBL21423100 0.80 ADORA2A (0.63) ADORA2AADORA2BDPP4PAX8MEN1
Thioinosine SCHEMBL1981269 0.80 ADORA2A (0.63) ADORA2AADORA2BDPP4PAX8MEN1
SCHEMBL9791062 0.79 ADORA2A (0.54) ADORA2AADORA2BDPP4MEN1SLC28A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353268-B1 ANTITUMOR 6-SULFENAMIDE, 6-SULFINAMIDE AND 6-SULFONAMIDE PURINES, PURINE NUCLEOSIDES, PURINE NUCLEOTIDES AND RELATED COMPOUNDS NUCLEIC ACID RESEARCH INST (US) 1994-08-10 EP disclosed