SCHEMBL19045980

SCHEMBL19045980

C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCC3)cc2O1

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.89

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
SCHEMBL19030037 0.94 IRAK4 (1.00) IRAK4
SCHEMBL19029964 0.94 IRAK4 (1.00) IRAK4
SCHEMBL19029966 0.94 IRAK4 (1.00) IRAK4
SCHEMBL19045715 0.94 IRAK4 (1.00) IRAK4
SCHEMBL20531292 0.94 IRAK4 (1.00) IRAK4
SCHEMBL23256332 0.94 IRAK4 (1.00) IRAK4
SCHEMBL19045719 0.94 IRAK4 (1.00) IRAK4
SCHEMBL19045718 0.94 IRAK4 (1.00) IRAK4
SCHEMBL19045717 0.94 IRAK4 (1.00) IRAK4
SCHEMBL19030177 0.94 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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