SCHEMBL29984424

SCHEMBL29984424

COc1nc(-c2cccc(-c3ccnc(-c4ccc5c(C=O)cn(C)c5c4)c3Cl)c2Cl)ccc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C.COc1nc(-c2cccc(-c3ccnc(-c4ccc5c(C=O)cn(C)c5c4)c3Cl)c2Cl)ccc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.45
▸ PDCD1LG2 Q9BQ51 18/20 0.45
▸ PDCD1 Q15116 2/20 0.45

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
SCHEMBL27080913 1.00 CD274 (0.45) CD274PDCD1LG2PDCD1
SCHEMBL27080607 0.93 CD274 (0.47) CD274PDCD1LG2PDCD1
SCHEMBL29983193 0.92 CD274 (0.44) CD274PDCD1LG2PDCD1
SCHEMBL27080439 0.92 CD274 (0.44) CD274PDCD1LG2PDCD1
SCHEMBL27081191 0.92 CD274 (0.44) CD274PDCD1LG2PDCD1
SCHEMBL27080927 0.91 CD274 (0.49) CD274PDCD1LG2PDCD1
SCHEMBL27080367 0.91 CD274 (0.47) CD274PDCD1LG2PDCD1
SCHEMBL27080926 0.90 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL29983827 0.90 CD274 (0.47) CD274PDCD1LG2PDCD1
SCHEMBL27081031 0.90 CD274 (0.48) CD274PDCD1LG2PDCD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313968-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2024-02-07 — — EP disclosed
WO-2022208269-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-10-06 — — WO disclosed
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