SCHEMBL19045147

SCHEMBL19045147

CC(C)(O)C1(C)Cc2cc([N+](C)([O-])O)c(F)cc2O1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.32

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
SCHEMBL19045148 0.72 IRAK4 (0.37) IRAK4
SCHEMBL19045690 0.71 IRAK4 (0.46) IRAK4
SCHEMBL19030317 0.61 MAPT (0.44) IRAK4
SCHEMBL19046166 0.59 IRAK4 (0.54) IRAK4
SCHEMBL21326686 0.58 IRAK4 (0.32) IRAK4
SCHEMBL19045681 0.56 IRAK4 (0.43) IRAK4
SCHEMBL19045077 0.53 IRAK4 (0.36) IRAK4
SCHEMBL19045793 0.53 IRAK4 (0.36) IRAK4
SCHEMBL25070406 0.50 CYP2D6 (0.37) —
SCHEMBL25070407 0.50 ATAD2 (0.33) —

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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