SCHEMBL19045889

SCHEMBL19045889

C[C@]1(O)COc2cc(N3CCN(CC(N)=O)CC3)c(NC(=O)/C(C=N)=C3\N=CC=CN3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.52

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
SCHEMBL19045888 1.00 IRAK4 (0.52) IRAK4
SCHEMBL19046384 0.89 IRAK4 (0.41) IRAK4
SCHEMBL19045894 0.89 IRAK4 (0.41) IRAK4
SCHEMBL19046083 0.88 IRAK4 (0.53) IRAK4
SCHEMBL19045732 0.88 IRAK4 (0.53) IRAK4
SCHEMBL19045890 0.84 IRAK4 (0.52) IRAK4
SCHEMBL19045891 0.84 IRAK4 (0.52) IRAK4
SCHEMBL19045314 0.82 IRAK4 (0.51) IRAK4
SCHEMBL19045816 0.81 IRAK4 (0.52) IRAK4
SCHEMBL19046323 0.81 IRAK4 (0.56) 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
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