SCHEMBL20180027

SCHEMBL20180027

COCCOC(=O)OCOP(=O)(CC(=O)N(C)C[C@@H]1CC[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)O1)OCOC(=O)OCCOC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.47
ADORA1 P30542 6/20 0.47
ADORA2A P29274 4/20 0.47
NT5E P21589 4/20 0.44
ADORA2B P29275 2/20 0.43

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
SCHEMBL21766000 0.95 ADORA3 (0.49) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL20180037 0.92 ADORA1 (0.47) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL20180092 0.92 ADORA1 (0.46) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL21766006 0.92 ADORA1 (0.46) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL21765912 0.87 ADORA3 (0.62) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL29493241 0.87 ADORA3 (0.62) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL22215015 0.86 NT5E (0.52) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL21766031 0.86 NT5E (0.46) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL20180082 0.84 ADORA3 (0.51) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL21766013 0.84 NT5E (0.47) ADORA3ADORA1ADORA2ANT5EADORA2B

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-2018094148-A1 INHIBITORS OF CD73-MEDIATED IMMUNOSUPPRESSION ARCUS BIOSCIENCES, INC. (US) 2018-05-24 WO disclosed