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Sugi Predict / Compounds / SCHEMBL29984045

SCHEMBL29984045

SCHEMBL29984045

COc1nc(B2OC(C)(C)C(C)(C)O2)cnc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C.COc1nc(Br)cnc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.41
▸ CD274 Q9NZQ7 20/20 0.41

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
SCHEMBL27080840 0.96 PDCD1 (0.44) PDCD1CD274
SCHEMBL21290407 0.89 PDCD1 (0.47) PDCD1CD274
SCHEMBL23198920 0.89 PDCD1 (0.47) PDCD1CD274
SCHEMBL29984350 0.89 PDCD1 (0.47) PDCD1CD274
SCHEMBL27081717 0.85 PDCD1 (0.47) PDCD1CD274
SCHEMBL27081702 0.85 PDCD1 (0.47) PDCD1CD274
SCHEMBL27080846 0.83 CD274 (0.36) PDCD1CD274
SCHEMBL30433060 0.81 PDCD1 (0.58) PDCD1CD274
SCHEMBL30135695 0.80 PDCD1 (0.60) PDCD1CD274
SCHEMBL21291057 0.80 PDCD1 (0.60) PDCD1CD274

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