SCHEMBL9548835

SCHEMBL9548835

C[SiH](C)[C@]1(n2cnc3c(N)ncnc32)C[C@H](OC(C)(C)C)[C@@H](CO)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.44
ADORA3 P0DMS8 4/20 0.44
SLC28A1 O00337 2/20 0.44
PI4KA P42356 5/20 0.42
PI4K2B Q8TCG2 5/20 0.42
PI4K2A Q9BTU6 5/20 0.42
PI4KB Q9UBF8 5/20 0.42
GMPS P49915 1/20 0.40
ADORA1 P30542 2/20 0.39
DPP4 P27487 1/20 0.39
MEN1 O00255 1/20 0.39
MAP3K7 O43318 1/20 0.39
SLC28A2 O43868 1/20 0.39
GAPDH P04406 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA2B P29275 1/20 0.39
STAT6 P42226 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DOT1L Q8TEK3 1/20 0.39

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
SCHEMBL9227355 0.88 PI4KA (0.37) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL2293030 0.86 RXFP1 (0.42)
SCHEMBL28036597 0.84 SLC28A1 (0.53) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL9548623 0.81 ADORA3 (0.40) ADORA3MEN1KMT2ASMN1; SMN2
SCHEMBL9548802 0.80 ADORA2A (0.42) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL9548690 0.79 ADORA2A (0.42) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL25389129 0.79 PI4KA (0.41) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL9548638 0.78 ADORA2A (0.39) ADORA2AADORA3SLC28A1PI4KAPI4K2B
SCHEMBL2290374 0.78 TRPM2 (0.56)
SCHEMBL7893477 0.77 ADORA3 (0.44) ADORA2AADORA3SLC28A1PI4KAPI4K2B

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
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed