SCHEMBL19785996

SCHEMBL19785996

N#Cc1c(NC(=O)c2cc(CNCCO)c[nH]c2=O)cccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 16/20 0.49
PDCD1 Q15116 15/20 0.49
MET P08581 1/20 0.40
KDR P35968 1/20 0.40
PPARG P37231 1/20 0.37
CFTR P13569 1/20 0.37

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
SCHEMBL19785505 0.90 CD274 (0.47) CD274PDCD1
SCHEMBL19785768 0.88 PDCD1 (0.43) CD274PDCD1METKDRCFTR
SCHEMBL19785820 0.86 PDCD1 (0.68) CD274PDCD1
SCHEMBL19785839 0.83 PDCD1 (0.66) CD274PDCD1KDR
SCHEMBL19785493 0.82 PDCD1 (0.52) CD274PDCD1KDR
SCHEMBL29893930 0.81 CD274 (0.54) CD274PDCD1
SCHEMBL19780011 0.81 CD274 (0.54) CD274PDCD1
SCHEMBL18979802 0.77 PDCD1 (0.67) CD274PDCD1
SCHEMBL19785841 0.77 PDCD1 (0.46) CD274PDCD1KDR
SCHEMBL19785504 0.76 PDCD1 (0.41) CD274PDCD1

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