SCHEMBL19046393

SCHEMBL19046393

C/N=C\N/C=C/CN1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C(C)(C)O)O3)CC1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.74

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
SCHEMBL19029907 0.85 IRAK4 (1.00) IRAK4
SCHEMBL19030751 0.85 IRAK4 (1.00) IRAK4
SCHEMBL19030377 0.85 IRAK4 (1.00) IRAK4
SCHEMBL23278027 0.85 IRAK4 (0.85) IRAK4
SCHEMBL19030229 0.84 IRAK4 (1.00) IRAK4
SCHEMBL19030232 0.84 IRAK4 (1.00) IRAK4
SCHEMBL19030518 0.84 IRAK4 (1.00) IRAK4
SCHEMBL19030503 0.83 IRAK4 (1.00) IRAK4
SCHEMBL19030241 0.83 IRAK4 (1.00) IRAK4
SCHEMBL19030121 0.83 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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