SCHEMBL21229151

SCHEMBL21229151

COc1cc(C(=O)Nc2cccc(-c3cccc(N)c3C)c2C)ncc1C=O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 0.61
CD274 Q9NZQ7 20/20 0.61

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
SCHEMBL31593234 0.94 PDCD1 (0.68) PDCD1CD274
SCHEMBL22769817 0.94 PDCD1 (0.68) PDCD1CD274
SCHEMBL31593233 0.94 PDCD1 (0.68) PDCD1CD274
SCHEMBL21229152 0.91 PDCD1 (0.60) PDCD1CD274
SCHEMBL30341116 0.89 PDCD1 (0.62) PDCD1CD274
SCHEMBL22675597 0.88 PDCD1 (0.61) PDCD1CD274
SCHEMBL18979705 0.87 PDCD1 (0.61) PDCD1CD274
SCHEMBL21229466 0.86 PDCD1 (0.73) PDCD1CD274
SCHEMBL21623416 0.84 PDCD1 (0.58) PDCD1CD274
SCHEMBL30341019 0.84 PDCD1 (0.58) 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-2019149183-A1 BIARYL DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2019-08-08 WO disclosed