SCHEMBL29983446

SCHEMBL29983446

COc1cc(-c2cccc(-c3ccnc(-c4cnc(CNC5CCOCC5)c(OC)c4)c3Cl)c2Cl)cnc1CNC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 18/20 0.52
▸ CD274 Q9NZQ7 18/20 0.52
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38

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
SCHEMBL27078983 1.00 PDCD1 (0.52) PDCD1CD274KDM4EALDH1A1CCNT1
SCHEMBL27079250 0.88 CD274 (0.57) PDCD1CD274
SCHEMBL29981797 0.88 CD274 (0.57) PDCD1CD274
SCHEMBL27079746 0.85 CD274 (0.53) PDCD1CD274
SCHEMBL29982523 0.85 CD274 (0.53) PDCD1CD274
SCHEMBL29143852 0.80 CD274 (0.45) PDCD1CD274KDM4EALDH1A1
SCHEMBL29983826 0.79 CD274 (0.54) PDCD1CD274
SCHEMBL27079655 0.79 CD274 (0.54) PDCD1CD274
SCHEMBL29983224 0.79 CD274 (0.54) PDCD1CD274
SCHEMBL27079396 0.79 CD274 (0.54) 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 4 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 claimed
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 claimed
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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