SCHEMBL20180119

SCHEMBL20180119

COC(CCn1cnc2c(NC3CCCC3)nc(Cl)nc21)CN(Cc1ccccc1)C(=O)CP(O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.43
YTHDC1 Q96MU7 3/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ADORA3 P0DMS8 7/20 0.40
ADORA1 P30542 4/20 0.40
ADORA2A P29274 2/20 0.39
PDGFRA P16234 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL20180117 0.78 ADORA3 (0.35) ADORA3ADORA1ADORA2A
SCHEMBL20180099 0.77 CTSL (0.51) YTHDC1CTSLCTSBADORA3ADORA1
SCHEMBL20180078 0.76 ADORA3 (0.38) CTSLADORA3ADORA1ADORA2A
SCHEMBL20180118 0.74 ADORA3 (0.38) CTSLADORA3ADORA1ADORA2A
SCHEMBL21766040 0.73 ADORA1 (0.43) NT5ECTSLCTSBADORA3ADORA1
SCHEMBL21765916 0.72 ADORA3 (0.38) NT5ECTSLADORA3ADORA1ADORA2A
SCHEMBL21766024 0.72 ADORA1 (0.42) NT5ECTSLADORA3ADORA1ADORA2A
SCHEMBL21766017 0.72 P2RY1 (0.39) NT5ECTSLADORA3ADORA1ADORA2A
SCHEMBL21766033 0.71 P2RY1 (0.40) NT5ECTSLADORA3ADORA1ADORA2A
SCHEMBL20180033 0.71 ADORA3 (0.37) YTHDC1CTSLADORA3ADORA1ADORA2A

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