Sugi Predict

Sugi Predict / Compounds / SCHEMBL20180017

SCHEMBL20180017

SCHEMBL20180017

CCOC(=O)OCOP(=O)(CC(=O)N(C)C[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N[C@H]4CCOC4)nc(Cl)nc32)O1)OCOC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 12/20 0.53
▸ NT5E P21589 2/20 0.50
▸ ADORA3 P0DMS8 6/20 0.49
▸ ADORA2A P29274 5/20 0.49
▸ ADORA2B P29275 5/20 0.49

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
SCHEMBL20180120 0.94 ADORA1 (0.52) ADORA1NT5EADORA3ADORA2AADORA2B
SCHEMBL20180036 0.94 ADORA1 (0.52) ADORA1NT5EADORA3ADORA2AADORA2B
SCHEMBL21765921 0.89 ADORA1 (0.62) ADORA1NT5EADORA3ADORA2AADORA2B
SCHEMBL21765918 0.84 ADORA1 (0.56) ADORA1NT5EADORA3ADORA2AADORA2B
SCHEMBL21766009 0.84 ADORA1 (0.60) ADORA1NT5EADORA3ADORA2AADORA2B
SCHEMBL21766005 0.84 ADORA1 (0.60) ADORA1NT5EADORA3ADORA2AADORA2B
SCHEMBL20180037 0.84 ADORA1 (0.47) ADORA1NT5EADORA3ADORA2AADORA2B
SCHEMBL20180072 0.84 ADORA1 (0.62) ADORA1NT5EADORA3ADORA2AADORA2B
SCHEMBL29493245 0.84 ADORA1 (0.62) ADORA1NT5EADORA3ADORA2AADORA2B
SCHEMBL20180283 0.83 ADORA1 (0.60) ADORA1NT5EADORA3ADORA2AADORA2B

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