SCHEMBL19785820

SCHEMBL19785820

N#Cc1c(NC(=O)c2cc(CNCCO)c[nH]c2=O)cccc1-c1ccc2c(c1)OCCO2

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 0.68
CD274 Q9NZQ7 20/20 0.68

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
SCHEMBL19785996 0.86 CD274 (0.49) PDCD1CD274
SCHEMBL29893716 0.84 PDCD1 (0.73) PDCD1CD274
SCHEMBL19779870 0.84 PDCD1 (0.73) PDCD1CD274
SCHEMBL19785505 0.82 CD274 (0.47) PDCD1CD274
SCHEMBL18979852 0.81 PDCD1 (0.79) PDCD1CD274
SCHEMBL29516773 0.81 PDCD1 (0.79) PDCD1CD274
SCHEMBL19785768 0.80 PDCD1 (0.43) PDCD1CD274
SCHEMBL19897403 0.77 PDCD1 (0.63) PDCD1CD274
SCHEMBL19785493 0.77 PDCD1 (0.52) PDCD1CD274
SCHEMBL19785839 0.77 PDCD1 (0.66) 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-2018013789-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-01-18 WO disclosed