SCHEMBL19046015

SCHEMBL19046015

Cn1cc(COc2cc3c(cc2NC(=O)c2cnn4c(-c5c(COc6cc7c(cc6NC(=O)c6cnn8cccnc68)C[C@](C)(CO)O7)cnn5C)ccnc24)C[C@@](C)(CO)O3)cn1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.79

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
SCHEMBL20531309 0.89 IRAK4 (1.00) IRAK4
SCHEMBL19045872 0.89 IRAK4 (1.00) IRAK4
SCHEMBL19045874 0.89 IRAK4 (1.00) IRAK4
SCHEMBL19045863 0.83 IRAK4 (1.00) IRAK4
SCHEMBL29935198 0.83 IRAK4 (1.00) IRAK4
SCHEMBL29935114 0.78 IRAK4 (1.00) IRAK4
SCHEMBL20531295 0.78 IRAK4 (1.00) IRAK4
SCHEMBL29935254 0.78 IRAK4 (1.00) IRAK4
SCHEMBL19045398 0.78 IRAK4 (1.00) IRAK4
SCHEMBL29935171 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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