SCHEMBL29243306

SCHEMBL29243306

COc1ncc(Cl)nc1OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 10/20 0.39
SIRT6 Q8N6T7 2/20 0.37
CD274 Q9NZQ7 3/20 0.36
PDCD1 Q15116 2/20 0.36
POLB P06746 1/20 0.34
NNMT P40261 1/20 0.33
EDNRA P25101 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
MAPKAPK2 P49137 1/20 0.32

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
SCHEMBL7544018 0.75 POLB (0.38) CCR4SIRT6CD274PDCD1POLB
SCHEMBL7544495 0.74 CDC7 (0.39) SIRT6POLBNNMT
SCHEMBL14780231 0.72 MEN1 (0.44) CCR4SIRT6POLBEDNRA
SCHEMBL31214143 0.71 NPSR1 (0.45) CCR4EDNRA
SCHEMBL11726239 0.71 NPSR1 (0.45) CCR4
SCHEMBL1731368 0.71 CCR4 (0.38) CCR4CD274PDCD1MAPKAPK2
SCHEMBL1732310 0.71 CCR4 (0.41) CCR4CD274PDCD1MAPKAPK2
SCHEMBL23093183 0.70 CCR4 (0.40) CCR4CD274PDCD1EDNRAPDCD1LG2
SCHEMBL6170483 0.70 CCR4 (0.43) CCR4CD274PDCD1EDNRA
SCHEMBL29212506 0.70 NNMT (0.37) SIRT6POLBNNMT

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
CN-117794529-A POLO-like kinase 4 inhibitors 欧瑞克制药公司 2024-03-29 CN disclosed