SCHEMBL28516221

SCHEMBL28516221

O=c1[nH]c2nc[nH]c2c(=O)n1I

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.64
ADORA2A P29274 4/20 0.64
PDE4A P27815 3/20 0.58
PDE4B Q07343 3/20 0.58
PDE4C Q08493 3/20 0.58
PDE4D Q08499 3/20 0.58
ADORA3 P0DMS8 7/20 0.55
ACHE P22303 1/20 0.47
GDA Q9Y2T3 1/20 0.47
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
PTGS1 P23219 2/20 0.38
HBB P68871 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL28648091 0.81 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL447390 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9574927 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL2837684 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
1-Methylxanthine SCHEMBL10996 0.78 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9949244 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL618977 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL5510062 0.78 ADORA2B (0.64) ADORA2BADORA2APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7296127 0.76 ADORA2B (0.62) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL29049585 0.76 ADORA2B (0.62) ADORA2BADORA2APDE4APDE4BPDE4C

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
CN-112312915-A Low glycemic adhesive compositions and methods of making and using the same 西雅图咖米公司 2021-02-02 CN disclosed
CN-112292040-A Hypoglycemic compositions and methods of making and using the same 西雅图咖米公司 2021-01-29 CN disclosed