Sugi Predict

Sugi Predict / Compounds / SCHEMBL20180036

SCHEMBL20180036

SCHEMBL20180036

COCCOC(=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)OCCOC

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 12/20 0.52
▸ NT5E P21589 2/20 0.48
▸ ADORA3 P0DMS8 6/20 0.47
▸ ADORA2B P29275 5/20 0.47
▸ ADORA2A P29274 5/20 0.47

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
SCHEMBL20180017 0.94 ADORA1 (0.53) ADORA1NT5EADORA3ADORA2BADORA2A
SCHEMBL20180120 0.93 ADORA1 (0.52) ADORA1NT5EADORA3ADORA2BADORA2A
SCHEMBL21766005 0.90 ADORA1 (0.60) ADORA1NT5EADORA3ADORA2BADORA2A
SCHEMBL20180037 0.90 ADORA1 (0.47) ADORA1NT5EADORA3ADORA2BADORA2A
SCHEMBL20168058 0.84 ADORA1 (0.60) ADORA1NT5EADORA3ADORA2BADORA2A
SCHEMBL21765921 0.84 ADORA1 (0.62) ADORA1NT5EADORA3ADORA2BADORA2A
SCHEMBL21765918 0.83 ADORA1 (0.56) ADORA1NT5EADORA3ADORA2BADORA2A
SCHEMBL20180308 0.83 ADORA3 (0.52) ADORA1NT5EADORA3ADORA2BADORA2A
SCHEMBL21766009 0.82 ADORA1 (0.60) ADORA1NT5EADORA3ADORA2BADORA2A
SCHEMBL21765912 0.82 ADORA3 (0.62) ADORA1NT5EADORA3ADORA2BADORA2A

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