SCHEMBL20180089

SCHEMBL20180089

CCN(CC1CCC(n2cnc3c(NC4CCCC4)nc(Cl)nc32)O1)C(=O)CP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NT5E P21589 6/20 0.53
ADORA3 P0DMS8 8/20 0.52
ADORA1 P30542 5/20 0.51
ADORA2A P29274 4/20 0.51
ADORA2B P29275 2/20 0.51

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
SCHEMBL20180013 0.89 ADORA3 (0.49) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL20168732 0.85 NT5E (0.69) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL20180075 0.85 NT5E (0.55) NT5EADORA3ADORA1
SCHEMBL23633915 0.82 NT5E (0.71) NT5EADORA3ADORA1ADORA2A
SCHEMBL21766000 0.81 ADORA3 (0.49) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL22215061 0.80 NT5E (0.71) NT5EADORA3ADORA1ADORA2A
SCHEMBL21766013 0.80 NT5E (0.47) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL21766031 0.79 NT5E (0.46) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL20180027 0.79 ADORA3 (0.47) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL20180092 0.79 ADORA1 (0.46) NT5EADORA3ADORA1ADORA2AADORA2B

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