Sugi Predict

Sugi Predict / Compounds / SCHEMBL29984054

SCHEMBL29984054

SCHEMBL29984054

COc1nc(-c2cccc(-c3ccnc(-c4cc(OC)c5nc(CN6CC(C(=O)O)C6)cn5c4)c3Cl)c2Cl)ccc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.50
▸ PDCD1LG2 Q9BQ51 5/20 0.50
▸ PDCD1 Q15116 15/20 0.49

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
SCHEMBL27080134 1.00 CD274 (0.50) CD274PDCD1LG2PDCD1
SCHEMBL27080122 1.00 CD274 (0.50) CD274PDCD1LG2PDCD1
SCHEMBL29983680 0.92 CD274 (0.50) CD274PDCD1LG2PDCD1
SCHEMBL29983155 0.92 CD274 (0.47) CD274PDCD1LG2PDCD1
SCHEMBL27081779 0.91 CD274 (0.49) CD274PDCD1LG2PDCD1
SCHEMBL29984477 0.91 CD274 (0.49) CD274PDCD1LG2PDCD1
SCHEMBL27081769 0.91 CD274 (0.49) CD274PDCD1LG2PDCD1
SCHEMBL29983992 0.90 CD274 (0.54) CD274PDCD1LG2PDCD1
SCHEMBL29983748 0.90 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL29984140 0.90 CD274 (0.53) 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
Send feedback