SCHEMBL19045681

SCHEMBL19045681

CC(C)(O)C(F)C1(C)Cc2cc(NO)c(F)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 8/20 0.43

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
SCHEMBL19030048 0.77 IRAK4 (0.40) IRAK4
SCHEMBL19030090 0.76 RIPK1 (0.37) IRAK4
SCHEMBL19030126 0.70 IRAK4 (0.53) IRAK4
SCHEMBL19045306 0.69 HDAC3 (0.40) IRAK4
SCHEMBL19046092 0.69 IRAK4 (0.34) IRAK4
SCHEMBL19046316 0.67 IRAK4 (0.53) IRAK4
SCHEMBL19045077 0.61 IRAK4 (0.36) IRAK4
SCHEMBL19030369 0.58 ESPL1 (0.41) —
SCHEMBL19046139 0.56 IRAK4 (0.36) IRAK4
SCHEMBL24151285 0.56 AKR1B1 (0.37) —

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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