SCHEMBL9466645

SCHEMBL9466645

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.53
ADORA3 P0DMS8 3/20 0.52
ADORA2A P29274 2/20 0.52
ADORA1 P30542 2/20 0.52
PI4KA P42356 2/20 0.52
PI4K2B Q8TCG2 2/20 0.52
PI4K2A Q9BTU6 2/20 0.52
PI4KB Q9UBF8 2/20 0.52
DPP4 P27487 1/20 0.52
MEN1 O00255 1/20 0.52
SLC28A1 O00337 1/20 0.52
MAP3K7 O43318 1/20 0.52
SLC28A2 O43868 1/20 0.52
GAPDH P04406 1/20 0.52
MAPK1 P28482 1/20 0.52
ADORA2B P29275 1/20 0.52
STAT6 P42226 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DOT1L Q8TEK3 1/20 0.52

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
SCHEMBL9466654 1.00 ADA (0.53) ADAADORA3ADORA2AADORA1PI4KA
SCHEMBL5362841 0.90 POLB (0.51) ADAADORA1SMN1; SMN2STING1POLB
SCHEMBL5361698 0.90 POLB (0.51) ADAADORA1SMN1; SMN2STING1POLB
SCHEMBL5179672 0.89 ADA (0.49) ADAADORA3ADORA2AADORA1PI4KA
SCHEMBL16360128 0.87 ADA (0.57) ADAADORA3ADORA2AADORA1PI4KA
SCHEMBL10432419 0.87 ADA (0.57) ADAADORA3ADORA2AADORA1PI4KA
SCHEMBL15832423 0.87 ADA (0.57) ADAADORA3ADORA2AADORA1PI4KA
SCHEMBL24787577 0.87 ADA (0.48) ADAADORA3ADORA2AADORA1PI4KA
SCHEMBL23105026 0.87 ADA (0.48) ADAADORA3ADORA2AADORA1PI4KA
SCHEMBL4580720 0.86 ADA (0.58) ADAADORA3ADORA2AADORA1PI4KA

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-5213972-A Production of thymidine and deoxyuridine, intermediates for AZT CHEMGEN CORPORATION (US) 1993-05-25 US disclosed
WO-1992020816-A1 DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF YALE UNIVERSITY (US) 1992-11-26 WO disclosed