SCHEMBL24375550

SCHEMBL24375550

CC1(C)Cc2cc(NC(=O)c3coc(-n4cnc(CCC5(C)Cc6cc(NC(=O)c7coc(-c8ccncn8)n7)c(N7CCOCC7)cc6O5)c4)n3)c(N3CCOCC3)cc2O1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.76

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
SCHEMBL21840546 0.87 IRAK4 (1.00) IRAK4
SCHEMBL21840529 0.80 IRAK4 (1.00) IRAK4
SCHEMBL23110503 0.78 IRAK4 (0.82) IRAK4
SCHEMBL21840528 0.76 IRAK4 (1.00) IRAK4
SCHEMBL21840553 0.76 IRAK4 (1.00) IRAK4
SCHEMBL24375555 0.76 IRAK4 (0.70) IRAK4
SCHEMBL21840495 0.74 IRAK4 (1.00) IRAK4
SCHEMBL23110458 0.73 IRAK4 (1.00) IRAK4
SCHEMBL23110647 0.72 IRAK4 (0.83) IRAK4
SCHEMBL21840512 0.72 IRAK4 (1.00) IRAK4

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-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 — — EP disclosed
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