SCHEMBL19664241

SCHEMBL19664241

CC(C)(C)[Si](C)(C)OC1CCC(Oc2ccc(Cl)cc2NC(=O)c2cnn3cc(C(N)=O)cnc23)CC1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.79
IRAK1 P51617 2/20 0.63
SYK P43405 2/20 0.56
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL360683 0.90 IRAK4 (0.78) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL359098 0.89 IRAK4 (0.78) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL358509 0.89 IRAK4 (0.80) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL10254260 0.88 IRAK4 (1.00) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL10254225 0.88 IRAK4 (1.00) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL358891 0.88 IRAK4 (0.79) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL359211 0.88 IRAK4 (0.63) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL359403 0.85 IRAK4 (0.68) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL359206 0.82 IRAK4 (0.79) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL358874 0.81 IRAK4 (0.57) IRAK4IRAK1SYKJAK2JAK1

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
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed