SCHEMBL29447335

SCHEMBL29447335

Cc1c(Br)cccc1-c1cccc(NC(=O)c2nc3c(n2C)CCNC3)c1C

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 0.79
CD274 Q9NZQ7 20/20 0.79

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
SCHEMBL22660179 1.00 PDCD1 (0.79) PDCD1CD274
SCHEMBL23633083 0.94 PDCD1 (0.72) PDCD1CD274
SCHEMBL23624178 0.90 PDCD1 (0.82) PDCD1CD274
SCHEMBL20294132 0.89 PDCD1 (1.00) PDCD1CD274
SCHEMBL21452374 0.86 PDCD1 (0.75) PDCD1CD274
SCHEMBL21564993 0.85 PDCD1 (0.81) PDCD1CD274
SCHEMBL29620199 0.85 PDCD1 (0.81) PDCD1CD274
SCHEMBL19713045 0.84 CD274 (0.73) PDCD1CD274
SCHEMBL30684042 0.84 PDCD1 (0.83) PDCD1CD274
SCHEMBL27036644 0.84 PDCD1 (0.83) 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-3967687-A1 SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2022-03-16 EP disclosed