SCHEMBL19046097

SCHEMBL19046097

CNc1cc2c(cc1C1CC1)OC(C)(C)C2

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.52

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
SCHEMBL19046422 0.80 IRAK4 (0.44) IRAK4
SCHEMBL19030619 0.78 IRAK4 (0.46) IRAK4
SCHEMBL19046305 0.78 IRAK4 (0.56) IRAK4
SCHEMBL19046134 0.75 IRAK4 (0.60) IRAK4
SCHEMBL24375562 0.69 IRAK4 (0.60) IRAK4
SCHEMBL23277852 0.68 IRAK4 (0.61) IRAK4
SCHEMBL22265286 0.65 ALDH1A1 (0.36) IRAK4
SCHEMBL25556122 0.65 — —
SCHEMBL19030736 0.65 IRAK4 (0.42) IRAK4
SCHEMBL19030775 0.64 ALDH1A1 (0.35) 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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