SCHEMBL19045745

SCHEMBL19045745

CC1(C)Cc2cc(N)c(N3CC[S+]([O-])CC3)cc2O1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.37

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
SCHEMBL19046020 0.85 IRAK4 (0.42) IRAK4
SCHEMBL19030256 0.82 IRAK4 (0.51) IRAK4
SCHEMBL19045344 0.80 IRAK4 (0.38) IRAK4
SCHEMBL19030786 0.79 IRAK4 (0.47) IRAK4
SCHEMBL20594568 0.78 IRAK4 (0.43) IRAK4
SCHEMBL19030273 0.77 IRAK4 (0.48) IRAK4
SCHEMBL19030698 0.76 IRAK4 (0.50) IRAK4
SCHEMBL19029913 0.76 IRAK4 (0.51) IRAK4
SCHEMBL30090056 0.76 IRAK4 (0.51) IRAK4
SCHEMBL19030477 0.75 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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