SCHEMBL29548134

SCHEMBL29548134

CC1(C)Cc2cc(NC(=O)c3cc4ccncc4o3)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
SCHEMBL21840533 1.00 IRAK4 (1.00) IRAK4
SCHEMBL21840557 0.81 IRAK4 (1.00) IRAK4
SCHEMBL21840528 0.81 IRAK4 (1.00) IRAK4
SCHEMBL21840498 0.80 IRAK4 (1.00) IRAK4
SCHEMBL21840517 0.78 IRAK4 (1.00) IRAK4
SCHEMBL21840538 0.78 IRAK4 (1.00) IRAK4
SCHEMBL21840497 0.78 IRAK4 (1.00) IRAK4
SCHEMBL23110503 0.77 IRAK4 (0.82) IRAK4
SCHEMBL28654072 0.77 IRAK4 (0.77) IRAK4
SCHEMBL21840503 0.77 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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