SCHEMBL30324445

SCHEMBL30324445

CC(C)N(C(C)C)P(CCC#N)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.58
▸ ADORA3 P0DMS8 4/20 0.55
▸ DOT1L Q8TEK3 2/20 0.55
▸ ADORA2A P29274 2/20 0.55
▸ DPP4 P27487 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ SLC28A1 O00337 1/20 0.55
▸ MAP3K7 O43318 1/20 0.55
▸ SLC28A2 O43868 1/20 0.55
▸ GAPDH P04406 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ ADORA2B P29275 1/20 0.55
▸ STAT6 P42226 1/20 0.55
▸ PI4KA P42356 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PI4K2B Q8TCG2 1/20 0.55
▸ SLC29A1 Q99808 1/20 0.55
▸ PI4K2A Q9BTU6 1/20 0.55
▸ SLC28A3 Q9HAS3 1/20 0.55

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 0.88 ADORA1 (0.55) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL30324459 0.82 ADORA3 (0.54) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL13743975 0.81 ADORA3 (0.67) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL13715739 0.81 ADORA3 (0.67) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL3921701 0.81 ADORA3 (0.67) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL29884287 0.79 ADORA2A (0.44) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL24371814 0.78 ADORA3 (0.71) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL8179689 0.78 ADORA3 (0.71) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL25936 0.77 ADORA3 (0.75) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL24538798 0.77 ADORA3 (0.75) ADORA1ADORA3DOT1LADORA2ADPP4

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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