SCHEMBL19046250

SCHEMBL19046250

CN1CCC2(Cc3cc(NO)c(N4CCOCC4)cc3O2)C1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.58

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
SCHEMBL19046152 0.94 IRAK4 (0.56) IRAK4
SCHEMBL19030771 0.83 IRAK4 (0.49) IRAK4
SCHEMBL19046105 0.79 IRAK4 (0.52) IRAK4
SCHEMBL19030539 0.78 IRAK4 (0.48) IRAK4
SCHEMBL19030064 0.76 IRAK4 (0.47) IRAK4
SCHEMBL19046238 0.75 IRAK4 (0.58) IRAK4
SCHEMBL23277921 0.75 IRAK4 (0.73) IRAK4
SCHEMBL19046301 0.75 MEN1 (0.46) IRAK4
SCHEMBL19045689 0.75 IRAK4 (0.56) IRAK4
SCHEMBL19030623 0.75 IRAK4 (1.00) 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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