SCHEMBL20180284

SCHEMBL20180284

CN(CC1CCC(n2cnc3c(NC4CCOC4)nc(Cl)nc32)O1)C(=O)CP(OCOC(=O)OCC(C)(C)C)OCOC(=O)OCC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.47
ADORA2B P29275 5/20 0.46
ADORA3 P0DMS8 4/20 0.44
ADORA2A P29274 4/20 0.44
NT5E P21589 3/20 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
SCHEMBL21765919 0.88 ADORA1 (0.47) ADORA1ADORA2BADORA3ADORA2ANT5E
SCHEMBL21766041 0.88 NT5E (0.47) ADORA1ADORA2BADORA3ADORA2ANT5E
SCHEMBL20180035 0.84 ADORA3 (0.44) ADORA1ADORA2BADORA3ADORA2ANT5E
SCHEMBL21766006 0.80 ADORA1 (0.46) ADORA1ADORA2BADORA3ADORA2ANT5E
SCHEMBL22215144 0.80 NT5E (0.53) ADORA1ADORA2BADORA3ADORA2ANT5E
SCHEMBL20180037 0.80 ADORA1 (0.47) ADORA1ADORA2BADORA3ADORA2ANT5E
SCHEMBL20180039 0.80 ADORA3 (0.47) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL22215074 0.80 NT5E (0.54) ADORA1ADORA2BADORA3ADORA2ANT5E
SCHEMBL21766031 0.80 NT5E (0.46) ADORA1ADORA2BADORA3ADORA2ANT5E
SCHEMBL20180283 0.76 ADORA1 (0.60) ADORA1ADORA2BADORA3ADORA2ANT5E

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