SCHEMBL30008159

SCHEMBL30008159

OCn1ncc2c(NC3CCCC3)nc(Cl)nc21

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NT5E P21589 18/20 0.49
ADORA1 P30542 1/20 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
SCHEMBL27195239 0.81 NT5E (0.56) NT5EADORA1
SCHEMBL30008197 0.81 NT5E (0.56) NT5EADORA1
SCHEMBL27414417 0.78 NT5E (0.53) NT5E
SCHEMBL21348635 0.78 NT5E (0.53) NT5E
SCHEMBL24672312 0.78 ADORA3 (0.47) NT5EADORA1
SCHEMBL30008091 0.78 ADORA3 (0.47) NT5EADORA1
SCHEMBL27414528 0.77 NT5E (0.52) NT5E
SCHEMBL28591762 0.77 ADORA3 (0.47) NT5EADORA1
SCHEMBL13057342 0.77 NT5E (0.48) NT5E
SCHEMBL30007965 0.76 NT5E (0.48) NT5E

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-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 WO disclosed