SCHEMBL22779780

SCHEMBL22779780

COc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(Br)cn4)c3C)c2C)ncc1Br

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 0.71
CD274 Q9NZQ7 20/20 0.71

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
SCHEMBL31593225 1.00 PDCD1 (0.71) PDCD1CD274
SCHEMBL22779869 0.95 PDCD1 (0.69) PDCD1CD274
SCHEMBL18979818 0.92 PDCD1 (0.61) PDCD1CD274
SCHEMBL30341111 0.91 PDCD1 (0.60) PDCD1CD274
SCHEMBL22675597 0.87 PDCD1 (0.61) PDCD1CD274
SCHEMBL22769853 0.86 PDCD1 (0.64) PDCD1CD274
SCHEMBL30112735 0.86 PDCD1 (0.64) PDCD1CD274
SCHEMBL22675590 0.86 PDCD1 (0.60) PDCD1CD274
SCHEMBL31593233 0.86 PDCD1 (0.68) PDCD1CD274
SCHEMBL31593234 0.86 PDCD1 (0.68) 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