SCHEMBL24375899

SCHEMBL24375899

CC1COc2c(I)cnn2C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.34
MGLL Q99685 1/20 0.32
MAP4K1 Q92918 1/20 0.32
PRNP P04156 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
SCHEMBL23107315 0.81 IRAK4 (0.34) IRAK4MGLLMAP4K1
SCHEMBL24375510 0.81 IRAK4 (0.34) IRAK4MGLLMAP4K1
SCHEMBL23541778 0.81 IRAK4 (0.34) IRAK4MGLLMAP4K1
SCHEMBL21888895 0.80 MGLL (0.33) IRAK4MGLLMAP4K1
SCHEMBL23674342 0.79 MGLL (0.32) IRAK4MGLLMAP4K1
SCHEMBL23104618 0.79 MGLL (0.32) IRAK4MGLLMAP4K1
SCHEMBL23104199 0.79 MGLL (0.32) IRAK4MGLLMAP4K1
SCHEMBL23541704 0.79 NLRP3 (0.43)
SCHEMBL24871972 0.77 IRAK4 (0.35) IRAK4MGLLMAP4K1
SCHEMBL23103362 0.77 MGLL (0.32) IRAK4MGLLMAP4K1

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