SCHEMBL20180033

SCHEMBL20180033

COC(CCn1cnc2c(NC3CCCC3)nc(Cl)nc21)CN(C)C(=O)CP1Nc2c(C)cccc2CO1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.37
YTHDC1 Q96MU7 1/20 0.36
ADORA1 P30542 9/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ADORA2A P29274 7/20 0.35
ADORA2B P29275 2/20 0.35
HTR2B P41595 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34

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
SCHEMBL21766040 0.74 ADORA1 (0.43) ADORA3ADORA1CTSLCTSSCTSK
SCHEMBL21766024 0.73 ADORA1 (0.42) ADORA3ADORA1CTSLCTSSCTSK
SCHEMBL20180078 0.73 ADORA3 (0.38) ADORA3ADORA1CTSLCTSSCTSK
SCHEMBL20180099 0.71 CTSL (0.51) ADORA3YTHDC1ADORA1CTSLCTSS
SCHEMBL20180118 0.71 ADORA3 (0.38) ADORA3ADORA1CTSLCTSSCTSK
SCHEMBL21766033 0.71 P2RY1 (0.40) ADORA3ADORA1CTSLCTSSCTSK
SCHEMBL20180119 0.71 NT5E (0.43) ADORA3YTHDC1ADORA1CTSLADORA2A
SCHEMBL21766008 0.66 ADORA1 (0.41) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL20180325 0.66 ADORA1 (0.41) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL20180117 0.65 ADORA3 (0.35) ADORA3ADORA1ADORA2AADORA2BHTR2B

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