SCHEMBL29132893

SCHEMBL29132893

O=C(Nc1cn(C2CCC(O)CC2)nc1-c1cnccn1)c1coc(-c2cn[nH]c2)n1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.43
IRAK1 P51617 2/20 0.42
PAICS P22234 1/20 0.34

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
SCHEMBL20090309 1.00 IRAK4 (0.43) IRAK4IRAK1PAICS
SCHEMBL30703612 1.00 IRAK4 (0.43) IRAK4IRAK1PAICS
SCHEMBL20090337 0.93 IRAK4 (0.44) IRAK4IRAK1
SCHEMBL20090319 0.93 IRAK4 (0.40) IRAK4IRAK1
SCHEMBL30259930 0.93 IRAK4 (0.40) IRAK4IRAK1
SCHEMBL24780933 0.93 IRAK4 (0.40) IRAK4IRAK1
SCHEMBL20161246 0.93 IRAK4 (0.44) IRAK4IRAK1
SCHEMBL20090302 0.90 IRAK4 (0.46) IRAK4IRAK1
SCHEMBL20161141 0.90 IRAK4 (0.46) IRAK4IRAK1
SCHEMBL21407126 0.90 IRAK4 (0.53) IRAK4IRAK1

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
CN-110099899-B Oxazole derivatives useful as IRAK inhibitors and process for their preparation 里格尔药品股份有限公司 2024-01-02 CN disclosed