SCHEMBL19046003

SCHEMBL19046003

CC1(C)Cc2cc(NC=O)c(N3CCN(CC(F)F)CC3)cc2O1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.55

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
SCHEMBL19030390 0.80 IRAK4 (0.49) IRAK4
SCHEMBL19030014 0.78 IRAK4 (0.48) IRAK4
SCHEMBL19030309 0.77 IRAK4 (0.52) IRAK4
SCHEMBL23277943 0.76 IRAK4 (0.60) IRAK4
SCHEMBL19030797 0.75 IRAK4 (0.51) IRAK4
SCHEMBL19045338 0.75 IRAK4 (0.53) IRAK4
SCHEMBL19046001 0.73 IRAK4 (0.43) IRAK4
SCHEMBL19030198 0.72 IRAK4 (1.00) IRAK4
SCHEMBL19045317 0.72 IRAK4 (0.57) IRAK4
SCHEMBL19046024 0.71 IRAK4 (0.53) 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
Send feedback