SCHEMBL20168620

SCHEMBL20168620

CC(C)OC(=O)OC([O])CC(=O)N(C)C[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.62
ADORA3 P0DMS8 8/20 0.62
ADORA2A P29274 5/20 0.62
ADORA2B P29275 4/20 0.62
NT5E P21589 2/20 0.58
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 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
SCHEMBL20168080 0.94 ADORA1 (0.65) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL21766009 0.88 ADORA1 (0.60) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL20180324 0.86 ADORA1 (0.60) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL20167946 0.86 ADORA3 (0.64) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL21750378 0.84 ADORA1 (0.60) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL20168652 0.84 ADORA3 (0.60) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL20180022 0.84 NT5E (0.70) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL20168548 0.84 ADORA3 (0.60) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL21765921 0.82 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL21766005 0.81 ADORA1 (0.60) ADORA1ADORA3ADORA2AADORA2BNT5E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541396-A1 INHIBITORS OF CD73-MEDIATED IMMUNOSUPPRESSION Arcus Biosciences, Inc. (US) 2019-09-25 EP disclosed
WO-2018094148-A1 INHIBITORS OF CD73-MEDIATED IMMUNOSUPPRESSION ARCUS BIOSCIENCES, INC. (US) 2018-05-24 WO disclosed