SCHEMBL27080433

SCHEMBL27080433

COc1nc(-c2ccnc(-c3cccc(NC(=O)c4ccc(CN(CCO)C(=O)O)cn4)c3C)c2Cl)ccc1CNC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.46
▸ PDCD1 Q15116 16/20 0.46
▸ PDCD1LG2 Q9BQ51 4/20 0.43

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
SCHEMBL29983870 0.93 CD274 (0.44) CD274PDCD1PDCD1LG2
SCHEMBL29983317 0.90 CD274 (0.52) CD274PDCD1PDCD1LG2
SCHEMBL27079856 0.90 CD274 (0.52) CD274PDCD1PDCD1LG2
SCHEMBL29143917 0.86 CD274 (0.52) CD274PDCD1PDCD1LG2
SCHEMBL27081086 0.86 PDCD1 (0.54) CD274PDCD1
SCHEMBL27079454 0.81 CD274 (0.59) CD274PDCD1PDCD1LG2
SCHEMBL29983043 0.81 CD274 (0.59) CD274PDCD1PDCD1LG2
SCHEMBL27082253 0.80 CD274 (0.42) CD274PDCD1PDCD1LG2
SCHEMBL30836288 0.79 CD274 (0.57) CD274PDCD1PDCD1LG2
SCHEMBL30836341 0.79 CD274 (0.46) 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
Send feedback