SCHEMBL14932203

SCHEMBL14932203

COc1nc(Nc2cc(C)nc(C)c2)nc(NC2C[C@H](CO)C3OC(C)(C)OC23)c1-c1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.63

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
SCHEMBL16209622 1.00 IRAK4 (0.63) IRAK4
SCHEMBL16209200 0.85 IRAK4 (0.57) IRAK4
SCHEMBL16209583 0.84 IRAK4 (0.49) IRAK4
SCHEMBL16209601 0.84 IRAK4 (0.49) IRAK4
SCHEMBL12037462 0.83 IRAK4 (0.57) IRAK4
SCHEMBL16209204 0.82 IRAK4 (0.46) IRAK4
SCHEMBL12038622 0.81 IRAK4 (0.58) IRAK4
SCHEMBL12037034 0.81 IRAK4 (0.59) IRAK4
SCHEMBL12038293 0.81 IRAK4 (0.58) IRAK4
SCHEMBL15982439 0.80 IRAK4 (0.55) 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-2013066729-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-10 — — WO disclosed
Send feedback