SCHEMBL19046245

SCHEMBL19046245

CN1CCCC(Oc2cc3c(cc2NC(O)c2cnn4cccnc24)CC(C)(C)O3)C1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.72

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
SCHEMBL19045136 0.84 IRAK4 (1.00) IRAK4
SCHEMBL23277937 0.81 IRAK4 (0.75) IRAK4
SCHEMBL23277852 0.80 IRAK4 (0.61) IRAK4
SCHEMBL19045143 0.78 IRAK4 (0.72) IRAK4
SCHEMBL19045358 0.78 IRAK4 (0.70) IRAK4
SCHEMBL23277938 0.76 IRAK4 (0.71) IRAK4
SCHEMBL19046132 0.74 IRAK4 (0.73) IRAK4
SCHEMBL19044612 0.72 IRAK4 (0.76) IRAK4
SCHEMBL23277963 0.71 IRAK4 (0.74) IRAK4
SCHEMBL19044638 0.71 IRAK4 (0.74) 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