SCHEMBL19046281

SCHEMBL19046281

CNC(=O)C1CC1c1cc2c(cc1NC(=O)/C(C=N)=C1\N=CC=CN1)CC(C)(C)O2

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 18/20 0.49

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
SCHEMBL19046126 0.92 IRAK4 (0.48) IRAK4
SCHEMBL19046303 0.88 IRAK4 (0.48) IRAK4
SCHEMBL19046266 0.86 IRAK4 (0.53) IRAK4
SCHEMBL19044640 0.83 IRAK4 (0.48) IRAK4
SCHEMBL19046091 0.83 IRAK4 (0.48) IRAK4
SCHEMBL19045107 0.81 IRAK4 (0.51) IRAK4
SCHEMBL19045853 0.81 IRAK4 (0.48) IRAK4
SCHEMBL19046361 0.81 IRAK4 (0.44) IRAK4
SCHEMBL19044580 0.79 IRAK4 (0.47) IRAK4
SCHEMBL19045350 0.78 IRAK4 (0.48) 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-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — WO disclosed
Send feedback