SCHEMBL28168306

SCHEMBL28168306

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 3/20 0.43
▸ PI4K2B Q8TCG2 3/20 0.43
▸ PI4K2A Q9BTU6 3/20 0.43
▸ PI4KB Q9UBF8 3/20 0.43
▸ ADORA2A P29274 3/20 0.43
▸ ADORA3 P0DMS8 4/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.40
▸ TAS1R1 Q7RTX1 2/20 0.40
▸ SLC28A1 O00337 2/20 0.39
▸ GMPS P49915 1/20 0.39
▸ 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

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
SCHEMBL29278249 0.83 ADORA2A (0.50) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL28168146 0.81 HPGD (0.41) ADORA3MEN1KMT2ASMN1; SMN2
SCHEMBL16863798 0.76 P2RY1 (0.54) TAS1R3TAS1R1ADORA1SMN1; SMN2
SCHEMBL13559221 0.76 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL3794703 0.76 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13010067 0.76 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL18537398 0.76 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL16258664 0.76 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL18680910 0.76 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13061814 0.76 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A

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
CN-107075516-A Modified double-stranded RNA reagents 阿尔尼拉姆医药品有限公司 2017-08-18 — — CN disclosed
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