SCHEMBL27080414

SCHEMBL27080414

O=C1CC[C@@H](CN(CCN2Cc3cc(Cl)ncc3C2=O)C(=O)O)N1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 14/20 0.36
▸ PDCD1 Q15116 13/20 0.36
▸ KCNA5 P22460 2/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ NNMT P40261 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL23725965 1.00 CD274 (0.36) CD274PDCD1KCNA5NTRK1PDCD1LG2
SCHEMBL25688688 0.87 PDCD1 (0.37) CD274PDCD1MAPK1IRAK4
SCHEMBL27081739 0.84 CD274 (0.42) CD274PDCD1PDCD1LG2
SCHEMBL27081733 0.84 CD274 (0.42) CD274PDCD1PDCD1LG2
SCHEMBL27080877 0.81 PRMT5 (0.35) KCNA5
SCHEMBL27080703 0.81 PRMT5 (0.35) KCNA5
SCHEMBL29983679 0.78 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL23724879 0.78 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL23724875 0.78 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL23725969 0.77 CD274 (0.36) CD274PDCD1PDCD1LG2

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-4313968-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2024-02-07 — — EP disclosed
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