SCHEMBL20161141

SCHEMBL20161141

O=C(Nc1cn(C2CCC(N3CCOCC3)CC2)nc1-c1cnccn1)c1coc(-c2cn[nH]c2)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 16/20 0.46
IRAK1 P51617 2/20 0.44
GSK3B P49841 2/20 0.41
DYRK1A Q13627 2/20 0.41
PIK3CD O00329 1/20 0.37
ROCK2 O75116 1/20 0.36

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
SCHEMBL20090302 1.00 IRAK4 (0.46) IRAK4IRAK1GSK3BDYRK1APIK3CD
SCHEMBL30703608 1.00 IRAK4 (0.46) IRAK4IRAK1GSK3BDYRK1APIK3CD
SCHEMBL20161344 0.94 IRAK4 (0.42) IRAK4IRAK1GSK3BDYRK1A
SCHEMBL30703606 0.94 IRAK4 (0.42) IRAK4IRAK1GSK3BDYRK1A
SCHEMBL20090317 0.94 IRAK4 (0.42) IRAK4IRAK1GSK3BDYRK1A
SCHEMBL20090304 0.94 IRAK4 (0.42) IRAK4IRAK1GSK3BDYRK1A
SCHEMBL29132893 0.90 IRAK4 (0.43) IRAK4IRAK1
SCHEMBL30703612 0.90 IRAK4 (0.43) IRAK4IRAK1
SCHEMBL20090309 0.90 IRAK4 (0.43) IRAK4IRAK1
SCHEMBL20090337 0.90 IRAK4 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532470-B1 OXAZOLE DERIVATIVES FOR USE AS IRAK INHIBITORS AND METHOD FOR THEIR PREPARATION RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP disclosed
WO-2018089199-A1 OXAZOLE DERIVATIVES FOR USE AS IRAK INHIBITORS AND METHOD FOR THEIR PREPARATION RIGEL PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed