SCHEMBL22779876

SCHEMBL22779876

C/C(Nc1cccc(-c2cccc(NC(=O)c3cc(C)c(Br)cn3)c2C)c1C)=C(\Br)C=N

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 0.52
CD274 Q9NZQ7 20/20 0.52

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
SCHEMBL30112735 0.87 PDCD1 (0.64) PDCD1CD274
SCHEMBL22769853 0.87 PDCD1 (0.64) PDCD1CD274
SCHEMBL18979847 0.80 PDCD1 (0.66) PDCD1CD274
SCHEMBL23810078 0.79 PDCD1 (0.55) PDCD1CD274
SCHEMBL20293688 0.79 PDCD1 (0.56) PDCD1CD274
SCHEMBL20312805 0.77 PDCD1 (0.55) PDCD1CD274
SCHEMBL30127946 0.77 PDCD1 (0.55) PDCD1CD274
SCHEMBL22779780 0.75 PDCD1 (0.71) PDCD1CD274
SCHEMBL31593225 0.75 PDCD1 (0.71) PDCD1CD274
SCHEMBL22769791 0.75 PDCD1 (0.64) 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