SCHEMBL18519971

SCHEMBL18519971

COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ ENPP1 P22413 2/20 0.52
▸ P2RY1 P47900 2/20 0.52
▸ AHCY P23526 3/20 0.50
▸ ADA P00813 1/20 0.50
▸ PI4KA P42356 3/20 0.49
▸ PI4K2B Q8TCG2 3/20 0.49
▸ PI4K2A Q9BTU6 3/20 0.49
▸ PI4KB Q9UBF8 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ ADCY1 Q08828 1/20 0.49

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
SCHEMBL439242 0.88 POLB (0.67) POLBENPP1P2RY1AHCYADA
SCHEMBL16359945 0.88 POLB (0.67) POLBENPP1P2RY1AHCYADA
SCHEMBL22393564 0.88 POLB (0.52) POLBENPP1P2RY1AHCYADA
SCHEMBL10021397 0.88 POLB (0.52) POLBENPP1P2RY1AHCYADA
SCHEMBL10021398 0.88 POLB (0.67) POLBENPP1P2RY1AHCYADA
SCHEMBL23079356 0.88 POLB (0.52) POLBENPP1P2RY1AHCYADA
SCHEMBL14064196 0.87 AHCY (0.53) POLBENPP1P2RY1AHCYADA
SCHEMBL12378913 0.87 AHCY (0.53) POLBENPP1P2RY1AHCYADA
Iodide SCHEMBL16244633 0.87 POLB (0.66) POLBENPP1P2RY1AHCYADA
SCHEMBL16374436 0.86 P2RY1 (0.66) POLBENPP1P2RY1ADORA1SMN1; SMN2

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
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — WO disclosed
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