SCHEMBL19045343

SCHEMBL19045343

COCC1CN(c2cc3c(cc2NC(=O)/C(C=N)=C2\N=CC=CN2)CC(C)(C)O3)CCO1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.54

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
SCHEMBL19044580 0.84 IRAK4 (0.47) IRAK4
SCHEMBL19045350 0.83 IRAK4 (0.48) IRAK4
SCHEMBL19046183 0.83 IRAK4 (0.54) IRAK4
SCHEMBL19046249 0.83 IRAK4 (0.51) IRAK4
SCHEMBL19045899 0.83 IRAK4 (0.51) IRAK4
SCHEMBL19046370 0.82 IRAK4 (0.53) IRAK4
SCHEMBL19045826 0.82 IRAK4 (0.52) IRAK4
SCHEMBL19044607 0.81 IRAK4 (0.52) IRAK4
SCHEMBL19046052 0.81 IRAK4 (0.48) IRAK4
SCHEMBL19045341 0.81 IRAK4 (0.51) 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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