SCHEMBL20180082

SCHEMBL20180082

COC(=O)OCOP(=O)(CC(=O)N(C)C[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)C[C@@H]1O)OCOC(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.51
ADORA1 P30542 6/20 0.51
ADORA2A P29274 5/20 0.51
NT5E P21589 4/20 0.47
ADORA2B P29275 3/20 0.46

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
SCHEMBL21765903 0.92 ADORA1 (0.48) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL21766034 0.89 ADORA3 (0.64) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL21766000 0.89 ADORA3 (0.49) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL21765999 0.88 ADORA3 (0.59) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL22215048 0.86 NT5E (0.57) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL20180086 0.85 ADORA1 (0.65) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL21766007 0.84 ADORA3 (0.60) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL21765912 0.84 ADORA3 (0.62) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL29493241 0.84 ADORA3 (0.62) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL20180027 0.84 ADORA3 (0.47) ADORA3ADORA1ADORA2ANT5EADORA2B

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