SCHEMBL20097204

SCHEMBL20097204

CC(OC(CNCn1c2cc(N)ccc2c2ccc(N)cc21)C(O)CO)n1cnc2c(N)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 3/20 0.41
▸ ADORA2A P29274 2/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ ADA P00813 1/20 0.37

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
SCHEMBL20096723 0.80 AHCY (0.35) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL20097022 0.78 AHCY (0.39) AHCY
SCHEMBL13459005 0.76 ADORA2A (0.50) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL20097221 0.75 AHCY (0.41) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL13770668 0.74 ADORA2A (0.56) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL24254534 0.72 ADORA2A (0.53) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL20097188 0.72 CCNB2 (0.42) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL23476211 0.70 ADORA2A (0.48) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL14030274 0.70 AHCY (0.41) AHCY
SCHEMBL14030164 0.69 AHCY (0.38) AHCY

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-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 — — WO disclosed
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