SCHEMBL20180035

SCHEMBL20180035

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.44
ADORA1 P30542 6/20 0.44
ADORA2A P29274 5/20 0.44
ADORA2B P29275 5/20 0.44
NT5E P21589 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL21766013 0.87 NT5E (0.47) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL20180039 0.86 ADORA3 (0.47) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL20180284 0.84 ADORA1 (0.47) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL21766006 0.80 ADORA1 (0.46) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL21766031 0.79 NT5E (0.46) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL21766000 0.79 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL20180027 0.77 ADORA3 (0.47) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL20180092 0.77 ADORA1 (0.46) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL21765903 0.76 ADORA1 (0.48) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL20180089 0.76 NT5E (0.53) ADORA3ADORA1ADORA2AADORA2BNT5E

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