SCHEMBL22220139

SCHEMBL22220139

CC(C)(C)[Si](C)(C)OC1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.61
ADORA1 P30542 2/20 0.61
PI4KA P42356 2/20 0.61
PI4K2B Q8TCG2 2/20 0.61
PI4K2A Q9BTU6 2/20 0.61
PI4KB Q9UBF8 2/20 0.61
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
MAPK1 P28482 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
STAT6 P42226 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
DOT1L Q8TEK3 1/20 0.61
SLC29A1 Q99808 1/20 0.61

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
SCHEMBL22220276 1.00 ADORA3 (0.61) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21859152 1.00 ADORA3 (0.61) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21859283 1.00 ADORA3 (0.61) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL30446694 1.00 ADORA3 (0.61) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL13773257 1.00 ADORA3 (0.61) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24487865 0.95 ADORA3 (0.58) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL13020576 0.95 ADORA3 (0.58) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL7893460 0.92 ADORA3 (0.68) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL7893467 0.92 ADORA3 (0.68) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL20655271 0.92 ADORA3 (0.66) ADORA3ADORA1PI4KAPI4K2BPI4K2A

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
WO-2020143800-A1 LIVER-SPECIFIC AMPK AGONIST, PREPARATION METHOD THEREFOR AND USES THEREOF 凯思凯迪(上海)医药科技有限公司 2020-07-16 WO disclosed