SCHEMBL9548829

SCHEMBL9548829

CC(C)(C)[Si](C)(C)OC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.53
ADORA3 P0DMS8 3/20 0.51
ADORA2A P29274 2/20 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
ADORA1 P30542 2/20 0.51
SMN1; SMN2 Q16637 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
ADORA2B P29275 1/20 0.51
STAT6 P42226 1/20 0.51
KMT2A Q03164 1/20 0.51
DOT1L Q8TEK3 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
SCHEMBL9548819 1.00 ADA (0.53) ADAADORA3ADORA2API4KAPI4K2B
SCHEMBL26233611 0.91 POLB (0.47) ADAADORA2API4KAPI4K2BPI4K2A
SCHEMBL7215063 0.89 POLB (0.47) ADAPI4KAPI4K2BPI4K2API4KB
SCHEMBL30197148 0.89 POLB (0.47) ADAPI4KAPI4K2BPI4K2API4KB
SCHEMBL11986893 0.89 POLB (0.47) ADAPI4KAPI4K2BPI4K2API4KB
SCHEMBL21317437 0.89 POLB (0.47) ADAPI4KAPI4K2BPI4K2API4KB
SCHEMBL9548885 0.88 PNP (0.54) ADORA3ADORA2AADORA1SMN1; SMN2ADORA2B
SCHEMBL22143020 0.87 ADA (0.53) ADAADORA3ADORA2API4KAPI4K2B
SCHEMBL18314959 0.87 ADA (0.53) ADAADORA3ADORA2API4KAPI4K2B
SCHEMBL16360128 0.86 ADA (0.57) ADAADORA3ADORA2API4KAPI4K2B

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