SCHEMBL17449458

SCHEMBL17449458

CCc1cccc(-n2ncc3c(OCCOC)cc(-c4cccc([C@@H](N)C(F)CCO)n4)cc32)n1

nearest known ligand 0.90

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 0.90

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
SCHEMBL17449399 1.00 IRAK4 (0.90) IRAK4
SCHEMBL17440802 0.95 IRAK4 (1.00) IRAK4
SCHEMBL17442025 0.95 IRAK4 (1.00) IRAK4
SCHEMBL17441802 0.95 IRAK4 (1.00) IRAK4
SCHEMBL19130729 0.90 IRAK4 (0.82) IRAK4
SCHEMBL17449381 0.89 IRAK4 (0.87) IRAK4
SCHEMBL17449434 0.89 IRAK4 (0.87) IRAK4
SCHEMBL17449461 0.86 IRAK4 (0.84) IRAK4
SCHEMBL17449460 0.86 IRAK4 (0.84) IRAK4
SCHEMBL21264130 0.85 IRAK4 (0.82) 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
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 WO disclosed