SCHEMBL30836731

SCHEMBL30836731

COc1nc(-c2ccnc(Cl)c2Cl)cnc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 0.59
CD274 Q9NZQ7 20/20 0.59

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
SCHEMBL30836629 0.93 PDCD1 (0.54) PDCD1CD274
SCHEMBL30433075 0.89 PDCD1 (0.65) PDCD1CD274
SCHEMBL27080849 0.89 CD274 (0.48) PDCD1CD274
SCHEMBL29983461 0.89 CD274 (0.48) PDCD1CD274
SCHEMBL21290659 0.87 PDCD1 (0.65) PDCD1CD274
SCHEMBL30135694 0.87 PDCD1 (0.65) PDCD1CD274
SCHEMBL24759617 0.87 PDCD1 (0.67) PDCD1CD274
SCHEMBL30683989 0.86 CD274 (0.44) PDCD1CD274
SCHEMBL21290409 0.86 PDCD1 (0.63) PDCD1CD274
SCHEMBL30135693 0.86 PDCD1 (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 WO disclosed