SCHEMBL20180025

SCHEMBL20180025

C[C@@H]1[C@H](C)[C@@H](CN(C)C(=O)CP(=O)(O)O)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 6/20 0.63
ADORA3 P0DMS8 7/20 0.56
ADORA1 P30542 5/20 0.56
ADORA2A P29274 4/20 0.56
ADORA2B P29275 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL20168148 0.91 NT5E (0.74) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL21766010 0.89 NT5E (0.57) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL20180315 0.89 NT5E (0.68) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL20180073 0.88 NT5E (0.60) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL20168732 0.83 NT5E (0.69) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL21765999 0.82 ADORA3 (0.59) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL20180094 0.82 ADORA3 (0.53) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL20180022 0.82 NT5E (0.70) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL20168089 0.81 NT5E (0.66) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL20168771 0.81 NT5E (0.68) NT5EADORA3ADORA1ADORA2AADORA2B

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