SCHEMBL19045781

SCHEMBL19045781

CC(C)[C@@]1(C)Cc2cc(NC(=O)/C(C=N)=C3\N=CC=CN3)c(N3CCOCC3)cc2O1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 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
SCHEMBL19045700 1.00 IRAK4 (0.49) IRAK4
SCHEMBL19046153 1.00 IRAK4 (0.49) IRAK4
SCHEMBL19046244 0.94 IRAK4 (0.44) IRAK4
SCHEMBL19045671 0.94 IRAK4 (0.50) IRAK4
SCHEMBL19045652 0.89 IRAK4 (0.49) IRAK4
SCHEMBL19044688 0.89 IRAK4 (0.49) IRAK4
SCHEMBL19046047 0.89 IRAK4 (0.45) IRAK4
SCHEMBL19046249 0.88 IRAK4 (0.51) IRAK4
SCHEMBL19044689 0.88 IRAK4 (0.45) IRAK4
SCHEMBL19044611 0.88 IRAK4 (0.50) 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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