SCHEMBL364145

SCHEMBL364145

O=C(Nc1cc(Cl)ccc1OC1CCN(C(=O)O)CC1)c1cnn2cccnc12

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.80
SYK P43405 3/20 0.80
JAK2 O60674 1/20 0.66
JAK1 P23458 1/20 0.66
TYK2 P29597 1/20 0.66
JAK3 P52333 1/20 0.66

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
SCHEMBL358095 0.89 IRAK4 (0.73) IRAK4SYKJAK2JAK1TYK2
SCHEMBL358677 0.89 IRAK4 (1.00) IRAK4SYKJAK2JAK1TYK2
SCHEMBL10254016 0.88 IRAK4 (1.00) IRAK4SYKJAK2JAK1TYK2
SCHEMBL10254507 0.88 IRAK4 (0.76) IRAK4SYKJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL358114 0.87 IRAK4 (0.98) IRAK4SYKJAK2JAK1TYK2
SCHEMBL359813 0.86 IRAK4 (1.00) IRAK4SYKJAK2JAK1TYK2
SCHEMBL359620 0.85 IRAK4 (1.00) IRAK4SYKJAK2JAK1TYK2
SCHEMBL357362 0.83 IRAK4 (1.00) IRAK4SYKJAK2JAK1TYK2
SCHEMBL359781 0.81 IRAK4 (1.00) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL19677061 0.80 IRAK4 (0.70) IRAK4SYK

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 4 patents. 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
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed