SCHEMBL22779870

SCHEMBL22779870

CNc1cccc(-c2cccc(NC(=O)c3cc(OC)c(CNC[C@H](O)CO)cn3)c2C)c1C

nearest known ligand 0.93

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.93
▸ CD274 Q9NZQ7 20/20 0.93

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
SCHEMBL22769833 0.96 PDCD1 (1.00) PDCD1CD274
SCHEMBL22769832 0.96 PDCD1 (1.00) PDCD1CD274
SCHEMBL22779839 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL31593228 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL22780048 0.88 PDCD1 (0.93) PDCD1CD274
SCHEMBL22779811 0.86 PDCD1 (0.94) PDCD1CD274
SCHEMBL22779875 0.86 PDCD1 (0.93) PDCD1CD274
SCHEMBL22780099 0.85 PDCD1 (0.93) PDCD1CD274
SCHEMBL22780064 0.85 PDCD1 (0.78) PDCD1CD274
SCHEMBL22769837 0.84 PDCD1 (1.00) 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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