SCHEMBL29548703

SCHEMBL29548703

CC1(C)Cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCOCC3)cc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 1.00

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
SCHEMBL21840556 1.00 IRAK4 (1.00) IRAK4
SCHEMBL22848531 0.91 IRAK4 (0.83) IRAK4
SCHEMBL29502364 0.90 IRAK4 (0.82) IRAK4
SCHEMBL22835662 0.90 IRAK4 (0.82) IRAK4
SCHEMBL29502520 0.90 IRAK4 (0.82) IRAK4
SCHEMBL22849781 0.90 IRAK4 (0.82) IRAK4
SCHEMBL22835466 0.90 IRAK4 (0.82) IRAK4
SCHEMBL22848691 0.90 IRAK4 (0.82) IRAK4
SCHEMBL22835279 0.90 IRAK4 (0.82) IRAK4
SCHEMBL22835216 0.89 IRAK4 (0.81) 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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