SCHEMBL22675461

SCHEMBL22675461

COC(=O)c1cnc(C(=O)Nc2cccc(-c3cccc(Br)c3C)c2C)cc1C1CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.57
▸ CD274 Q9NZQ7 20/20 0.57

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
SCHEMBL22769846 0.85 PDCD1 (0.68) PDCD1CD274
SCHEMBL22675462 0.85 PDCD1 (0.61) PDCD1CD274
SCHEMBL22675455 0.84 PDCD1 (0.70) PDCD1CD274
SCHEMBL24446141 0.79 PDCD1 (0.63) PDCD1CD274
SCHEMBL29558234 0.79 PDCD1 (0.63) PDCD1CD274
SCHEMBL30522145 0.78 PDCD1 (0.67) PDCD1CD274
SCHEMBL22769812 0.78 PDCD1 (0.67) PDCD1CD274
SCHEMBL22779780 0.77 PDCD1 (0.71) PDCD1CD274
SCHEMBL31593225 0.77 PDCD1 (0.71) PDCD1CD274
SCHEMBL22769830 0.77 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
WO-2020228649-A1 SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-11-19 — — WO disclosed
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