SCHEMBL9548802

SCHEMBL9548802

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.42
ADORA3 P0DMS8 3/20 0.42
SLC28A1 O00337 2/20 0.42
GMPS P49915 1/20 0.42
PI4K2A Q9BTU6 6/20 0.42
PI4KA P42356 5/20 0.42
PI4K2B Q8TCG2 5/20 0.42
PI4KB Q9UBF8 5/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
SLC28A2 O43868 1/20 0.38
P2RY1 P47900 1/20 0.37
ADORA1 P30542 1/20 0.36

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
SCHEMBL9548690 0.91 ADORA2A (0.42) ADORA2AADORA3SLC28A1GMPSPI4K2A
SCHEMBL9548638 0.88 ADORA2A (0.39) ADORA2AADORA3SLC28A1GMPSPI4K2A
SCHEMBL9548707 0.87 ADORA3 (0.41) ADORA2AADORA3SLC28A1GMPSPI4K2A
SCHEMBL9548745 0.86 ADORA2A (0.40) ADORA2AADORA3SLC28A1GMPSPI4K2A
SCHEMBL9548680 0.84 ADORA3 (0.37) ADORA2AADORA3SLC28A1GMPSPI4K2A
SCHEMBL9548605 0.83 ADORA3 (0.42) ADORA3
SCHEMBL9548835 0.80 ADORA2A (0.44) ADORA2AADORA3SLC28A1GMPSPI4K2A
SCHEMBL9548683 0.80 TAS1R3 (0.35) ADORA2AADORA3SLC28A1GMPSPI4K2A
SCHEMBL9227355 0.74 PI4KA (0.37) ADORA2AADORA3SLC28A1GMPSPI4K2A
SCHEMBL9548775 0.73 ADORA3 (0.44) ADORA3

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