SCHEMBL23052610

SCHEMBL23052610

CC(C)(C)OC(=O)N(c1ncnn2c([C@@H]3O[C@H](COC(Cc4ccccc4)C(=O)O)[C@H]4OC(C)(C)O[C@H]43)cnc12)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 20/20 0.36

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
SCHEMBL23043472 0.81 — —
SCHEMBL23042861 0.79 ALDH1A1 (0.30) —
SCHEMBL23042952 0.72 GPR119 (0.33) NT5E
SCHEMBL23042876 0.72 ALDH1A1 (0.33) —
SCHEMBL23043039 0.69 PI4KA (0.34) —
SCHEMBL22899659 0.66 TOP2A (0.31) —
SCHEMBL29613907 0.66 TOP2A (0.31) —
SCHEMBL22899719 0.66 — —
SCHEMBL22899590 0.66 — —
SCHEMBL22899715 0.66 NT5E (0.32) 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-2021040356-A1 C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION KAINOS MEDICINE, INC. (KR) 2021-03-04 — — WO disclosed
Send feedback