SCHEMBL23993319

SCHEMBL23993319

CC(C)(O)[C@@H]1C[C@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.43
▸ RAF1 P04049 2/20 0.31

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
SCHEMBL23995439 1.00 NT5E (0.43) NT5ERAF1
SCHEMBL23993689 0.92 NT5E (0.44) NT5ERAF1
SCHEMBL23994333 0.92 NT5E (0.44) NT5ERAF1
SCHEMBL23995432 0.88 NT5E (0.44) NT5ERAF1
SCHEMBL23993723 0.88 NT5E (0.44) NT5ERAF1
SCHEMBL24514825 0.88 NT5E (0.44) NT5ERAF1
SCHEMBL25004690 0.86 NT5E (0.47) NT5E
SCHEMBL23994346 0.84 NT5E (0.46) NT5E
SCHEMBL24514930 0.84 NT5E (0.62) NT5E
SCHEMBL24515119 0.83 NT5E (0.44) 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-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO disclosed
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