SCHEMBL20180099

SCHEMBL20180099

CCC(CCn1cnc2c(NC3CCCC3)nc(Cl)nc21)OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.51
CTSB P07858 1/20 0.51
ADORA3 P0DMS8 10/20 0.49
ADORA1 P30542 8/20 0.48
ADORA2A P29274 7/20 0.48
YTHDC1 Q96MU7 2/20 0.48
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
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
SCHEMBL5263284 0.80 ADORA3 (0.57) CTSLCTSBADORA3ADORA1ADORA2A
SCHEMBL21766040 0.77 ADORA1 (0.43) CTSLCTSBADORA3ADORA1ADORA2A
SCHEMBL21766024 0.77 ADORA1 (0.42) CTSLADORA3ADORA1ADORA2ACTSS
SCHEMBL17929772 0.77 YTHDC1 (0.63) CTSLCTSBADORA3ADORA1ADORA2A
SCHEMBL20180119 0.77 NT5E (0.43) CTSLCTSBADORA3ADORA1ADORA2A
SCHEMBL7442349 0.75 ADORA1 (0.64) ADORA3ADORA1ADORA2AYTHDC1ADORA2B
SCHEMBL22215100 0.75 P2RY1 (0.43) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL17262783 0.75 YTHDC1 (0.61) CTSLCTSBADORA3ADORA1ADORA2A
SCHEMBL20180078 0.75 ADORA3 (0.38) CTSLADORA3ADORA1ADORA2ACTSS
SCHEMBL182902 0.74 ADORA1 (0.63) ADORA3ADORA1ADORA2AYTHDC1ADORA2B

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