SCHEMBL20058638

SCHEMBL20058638

CC1CC(CO)OC1Nc1ncnc(N)c1N

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ ADA P00813 1/20 0.32

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
SCHEMBL18519939 0.85 ADK (0.39) ADKADA
SCHEMBL14224892 0.75 ADK (0.36) ADKADORA3ADA
SCHEMBL20419034 0.74 ADK (0.39) ADK
SCHEMBL21376205 0.72 ADK (0.49) ADKADORA3ADORA2AADORA2BADORA1
SCHEMBL4867832 0.72 ADK (0.68) ADKADORA3ADORA2AADORA2BADORA1
SCHEMBL13479945 0.70 ADK (0.42) ADKADORA3ADORA2AADORA2BADORA1
SCHEMBL13924251 0.68 IRAK4 (0.39) ADKADORA2B
SCHEMBL14544505 0.67 ATG7 (0.47) ADKADORA3ADORA2AADORA2BADORA1
SCHEMBL13408342 0.66 PNP (0.49) —
SCHEMBL14628001 0.66 ADK (0.51) ADKADORA3ADORA2AADORA2BADORA1

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
EP-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 — — EP disclosed
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