SCHEMBL19045393

SCHEMBL19045393

CNc1cnc2c(C(O)Nc3cc4c(cc3N3CCN(CC(F)F)CC3)O[C@](C)(CO)C4)cnn2c1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.75

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
SCHEMBL19045394 0.87 IRAK4 (0.76) IRAK4
SCHEMBL19045391 0.86 IRAK4 (1.00) IRAK4
SCHEMBL20531280 0.86 IRAK4 (1.00) IRAK4
SCHEMBL19045392 0.86 IRAK4 (1.00) IRAK4
SCHEMBL19045679 0.82 IRAK4 (0.72) IRAK4
SCHEMBL19044567 0.81 IRAK4 (0.74) IRAK4
SCHEMBL23277924 0.78 IRAK4 (0.73) IRAK4
SCHEMBL19045425 0.78 IRAK4 (0.73) IRAK4
SCHEMBL19030484 0.78 IRAK4 (1.00) IRAK4
SCHEMBL19030427 0.78 IRAK4 (1.00) 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
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