SCHEMBL8923800

SCHEMBL8923800

Nc1ncnc2c1ncn2C[C@H]1CC[C@@H](CO)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.56
ADORA1 P30542 5/20 0.56
PI4KA P42356 3/20 0.51
PI4K2B Q8TCG2 3/20 0.51
PI4K2A Q9BTU6 3/20 0.51
PI4KB Q9UBF8 3/20 0.51
AHCY P23526 8/20 0.51
ADA P00813 1/20 0.50
ADORA2B P29275 2/20 0.49
DPP4 P27487 1/20 0.48
MEN1 O00255 1/20 0.48
SLC28A1 O00337 1/20 0.48
MAP3K7 O43318 1/20 0.48
SLC28A2 O43868 1/20 0.48
GAPDH P04406 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
MAPK1 P28482 1/20 0.48
STAT6 P42226 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8921749 0.84 ADORA1 (0.40) ADORA2AADORA1AHCYADAMAPK1
SCHEMBL22352153 0.82 MARS1 (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8921016 0.82 ADORA2A (0.52) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10835714 0.81 ADORA2A (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL18410857 0.81 MAPK1 (0.57) ADORA1MAPK1
SCHEMBL8921694 0.81 CYP1A2 (0.51) ADORA1MAPK1STAT6SMN1; SMN2SLC29A1
SCHEMBL23680075 0.81 AHCY (0.49) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL18526553 0.81 ADORA2A (0.49) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3541 0.81 ADA (0.65) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10381269 0.81 ADA (0.65) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703224-A Antiviral c-nucleoside derivatives NIPPON SHINYAKU CO. LTD. (JP) 1997-12-30 US disclosed
EP-0733630-A1 NUCLEOSIDE DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP disclosed