SCHEMBL30324459

SCHEMBL30324459

CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.54
▸ ADORA1 P30542 3/20 0.54
▸ DOT1L Q8TEK3 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ DPP4 P27487 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ SLC28A1 O00337 1/20 0.54
▸ MAP3K7 O43318 1/20 0.54
▸ SLC28A2 O43868 1/20 0.54
▸ GAPDH P04406 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ STAT6 P42226 1/20 0.54
▸ PI4KA P42356 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PI4K2B Q8TCG2 1/20 0.54
▸ SLC29A1 Q99808 1/20 0.54
▸ PI4K2A Q9BTU6 1/20 0.54
▸ SLC28A3 Q9HAS3 1/20 0.54

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
SCHEMBL30324473 0.94 ADORA1 (0.55) ADORA3ADORA1DOT1LSMN1; SMN2DPP4
SCHEMBL16561357 0.87 ADORA3 (0.59) ADORA3ADORA1DOT1LSMN1; SMN2DPP4
SCHEMBL29884287 0.85 ADORA2A (0.44) ADORA3ADORA1DOT1LSMN1; SMN2DPP4
SCHEMBL14896399 0.84 HINT1 (0.49) ADORA2ATAS1R3TAS1R1
SCHEMBL28552404 0.83 SLC29A1 (0.51) ADORA3ADORA1DOT1LSMN1; SMN2DPP4
SCHEMBL30324445 0.82 ADORA1 (0.58) ADORA3ADORA1DOT1LSMN1; SMN2DPP4
SCHEMBL30592403 0.80 ADORA3 (0.54) ADORA3ADORA1DOT1LSMN1; SMN2DPP4
SCHEMBL6753322 0.80 HINT1 (0.42) ADORA3ADORA2AADORA2B
SCHEMBL13743975 0.79 ADORA3 (0.67) ADORA3ADORA1DOT1LSMN1; SMN2DPP4
SCHEMBL13715739 0.79 ADORA3 (0.67) ADORA3ADORA1DOT1LSMN1; SMN2DPP4

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-110325543-B Cyclic dinucleotides as STING (stimulator of interferon genes) agonists 武田药品工业株式会社 2023-03-31 — — CN disclosed
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