SCHEMBL19044293

SCHEMBL19044293

CC1(C)Cc2cc(NC(=O)/C(C=N)=C3\N=CC=CN3)c(OCC(F)(F)F)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.48

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
SCHEMBL19045141 0.89 IRAK4 (0.48) IRAK4
SCHEMBL19045854 0.88 IRAK4 (0.49) IRAK4
SCHEMBL19045853 0.88 IRAK4 (0.48) IRAK4
SCHEMBL19045858 0.85 IRAK4 (0.51) IRAK4
SCHEMBL19045856 0.84 IRAK4 (0.53) IRAK4
SCHEMBL19045911 0.84 IRAK4 (0.52) IRAK4
SCHEMBL19045855 0.83 IRAK4 (0.54) IRAK4
SCHEMBL19045696 0.83 IRAK4 (0.41) IRAK4
SCHEMBL19046048 0.82 IRAK4 (0.48) IRAK4
SCHEMBL19045989 0.82 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
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