SCHEMBL20180037

SCHEMBL20180037

COCCOC(=O)OCOP(=O)(CC(=O)N(C)CC1CCC(n2cnc3c(NC4CCOC4)nc(Cl)nc32)O1)OCOC(=O)OCCOC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.47
ADORA2B P29275 5/20 0.46
NT5E P21589 2/20 0.46
ADORA3 P0DMS8 5/20 0.44
ADORA2A P29274 5/20 0.44

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
SCHEMBL20180027 0.92 ADORA3 (0.47) ADORA1ADORA2BNT5EADORA3ADORA2A
SCHEMBL21765919 0.92 ADORA1 (0.47) ADORA1ADORA2BNT5EADORA3ADORA2A
SCHEMBL20180036 0.90 ADORA1 (0.52) ADORA1ADORA2BNT5EADORA3ADORA2A
SCHEMBL21766000 0.88 ADORA3 (0.49) ADORA1ADORA2BNT5EADORA3ADORA2A
SCHEMBL21766005 0.88 ADORA1 (0.60) ADORA1ADORA2BNT5EADORA3ADORA2A
SCHEMBL22215045 0.87 NT5E (0.54) ADORA1ADORA2BNT5EADORA3ADORA2A
SCHEMBL21766041 0.86 NT5E (0.47) ADORA1ADORA2BNT5EADORA3ADORA2A
SCHEMBL20180092 0.85 ADORA1 (0.46) ADORA1ADORA2BNT5EADORA3ADORA2A
SCHEMBL21766006 0.84 ADORA1 (0.46) ADORA1ADORA2BNT5EADORA3ADORA2A
SCHEMBL22215027 0.84 NT5E (0.55) ADORA1ADORA2BNT5EADORA3ADORA2A

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