SCHEMBL19046195

SCHEMBL19046195

CC(C)(O)[C@]1(C)Cc2cc(NC(=O)/C(C=N)=C3\N=CC=CN3)c(N3CCN(Cc4c[nH]cn4)CC3)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.44

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
SCHEMBL19046194 1.00 IRAK4 (0.44) IRAK4
SCHEMBL19046395 1.00 IRAK4 (0.44) IRAK4
SCHEMBL19046172 0.85 IRAK4 (0.50) IRAK4
SCHEMBL19045219 0.85 IRAK4 (0.50) IRAK4
SCHEMBL19045685 0.79 IRAK4 (0.51) IRAK4
SCHEMBL19046087 0.79 IRAK4 (0.56) IRAK4
SCHEMBL19046388 0.78 IRAK4 (0.55) IRAK4
SCHEMBL19046135 0.77 IRAK4 (0.42) IRAK4
SCHEMBL19045313 0.77 IRAK4 (0.51) IRAK4
SCHEMBL19045314 0.77 IRAK4 (0.51) 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