SCHEMBL17440703

SCHEMBL17440703

CC(C)(C)[Si](C)(C)OC(CCCNC(=O)O)c1cccc(Br)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.35
TP53BP1 Q12888 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 1/20 0.31
UCHL1 P09936 1/20 0.30
USP5 P45974 1/20 0.30
USP9X Q93008 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL17440496 0.80 ALDH1A1 (0.40) IRAK4TP53BP1ALDH1A1HPGD
SCHEMBL17440635 0.80 IRAK4 (0.33) IRAK4
SCHEMBL17440865 0.78 IRAK4 (0.37) IRAK4
SCHEMBL28439621 0.76 IRAK4 (0.43) IRAK4CA2
SCHEMBL17440700 0.72 IRAK4 (0.35) IRAK4ALDH1A1HPGDUCHL1USP5
SCHEMBL10005123 0.69 IRAK4 (0.40) IRAK4
SCHEMBL17440719 0.68 IRAK4 (0.30) IRAK4
SCHEMBL23354281 0.68 MEN1 (0.40) ALDH1A1MEN1GAAKMT2A
SCHEMBL4839737 0.65 IRAK4 (0.36) IRAK4ALDH1A1KMT2ACA2UCHL1
SCHEMBL4839728 0.65 IRAK4 (0.36) IRAK4ALDH1A1KMT2ACA2UCHL1

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