SCHEMBL19045673

SCHEMBL19045673

C[C@]1(C(F)F)Cc2cc(NC(O)c3cnn4cccnc34)c(N3CCOCC3)cc2O1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.73

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
SCHEMBL19045318 0.94 IRAK4 (0.72) IRAK4
SCHEMBL23277944 0.94 IRAK4 (0.72) IRAK4
SCHEMBL19045849 0.90 IRAK4 (0.70) IRAK4
SCHEMBL19045646 0.87 IRAK4 (0.74) IRAK4
SCHEMBL19046072 0.86 IRAK4 (0.73) IRAK4
SCHEMBL23278035 0.85 IRAK4 (0.71) IRAK4
SCHEMBL19045667 0.85 IRAK4 (0.75) IRAK4
SCHEMBL23277887 0.85 IRAK4 (0.73) IRAK4
SCHEMBL19046158 0.85 IRAK4 (0.75) IRAK4
SCHEMBL19045315 0.85 IRAK4 (0.73) 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