SCHEMBL19046048

SCHEMBL19046048

C[C@]1(CO)Cc2cc(NC(=O)/C(C=N)=C3\N=CC=CN3)c(OC(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
SCHEMBL19044627 0.85 IRAK4 (0.46) IRAK4
SCHEMBL19044293 0.82 IRAK4 (0.48) IRAK4
SCHEMBL19045979 0.80 IRAK4 (0.52) IRAK4
SCHEMBL19045977 0.80 IRAK4 (0.52) IRAK4
SCHEMBL19045789 0.80 IRAK4 (0.52) IRAK4
SCHEMBL19044927 0.80 IRAK4 (0.52) IRAK4
SCHEMBL19045695 0.80 IRAK4 (0.52) IRAK4
SCHEMBL19044925 0.80 IRAK4 (0.52) IRAK4
SCHEMBL19045782 0.80 IRAK4 (0.43) IRAK4
SCHEMBL19046081 0.80 IRAK4 (0.43) 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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