SCHEMBL22508607

SCHEMBL22508607

CC(C)(C)[Si](C)(C)OC1C[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 0.51
ADORA2B P29275 3/20 0.51
PI4KA P42356 2/20 0.51
PI4K2B Q8TCG2 2/20 0.51
PI4K2A Q9BTU6 2/20 0.51
PI4KB Q9UBF8 2/20 0.51
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
DPP4 P27487 1/20 0.51
MEN1 O00255 1/20 0.51
SLC28A1 O00337 1/20 0.51
MAP3K7 O43318 1/20 0.51
SLC28A2 O43868 1/20 0.51
GAPDH P04406 1/20 0.51
MAPK1 P28482 1/20 0.51
STAT6 P42226 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DOT1L Q8TEK3 1/20 0.51
SLC29A1 Q99808 1/20 0.51

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
SCHEMBL22065053 1.00 ADORA3 (0.51) ADORA3ADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL19941913 0.92 AHCY (0.47) ADORA3ADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL22065156 0.90 ADORA1 (0.45) ADORA3ADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL20418959 0.90 ADORA1 (0.45) ADORA3ADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL21859250 0.90 ADORA1 (0.45) ADORA3ADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL15355255 0.90 ADORA1 (0.45) ADORA3ADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL29390219 0.90 ADORA1 (0.45) ADORA3ADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL9851766 0.89 SLC29A1 (0.39) ADORA3ADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL9851773 0.89 SLC29A1 (0.39) ADORA3ADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL22036459 0.87 ADORA1 (0.47) ADORA3ADORA2BPI4KAPI4K2BPI4K2A

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
EP-3947408-B1 SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2023-06-07 EP disclosed
WO-2020201751-A1 SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2020-10-08 WO disclosed