SCHEMBL22779891

SCHEMBL22779891

CNc1cccc(-c2cccc(NC(=O)c3cc(C4CC4)c(CNCCCC(=O)O)cn3)c2C)c1C

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.78
▸ CD274 Q9NZQ7 20/20 0.78

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
SCHEMBL22779808 0.90 PDCD1 (0.77) PDCD1CD274
SCHEMBL24446423 0.90 PDCD1 (0.93) PDCD1CD274
SCHEMBL22769834 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL22780115 0.86 PDCD1 (0.77) PDCD1CD274
SCHEMBL30112663 0.86 PDCD1 (1.00) PDCD1CD274
SCHEMBL21229397 0.86 PDCD1 (1.00) PDCD1CD274
SCHEMBL24446641 0.85 PDCD1 (0.79) PDCD1CD274
SCHEMBL30112714 0.85 PDCD1 (1.00) PDCD1CD274
SCHEMBL22769796 0.85 PDCD1 (1.00) PDCD1CD274
SCHEMBL22780081 0.85 PDCD1 (0.78) 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
EP-3750887-A1 BIARYL DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2020-12-16 — — EP disclosed
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