SCHEMBL23110407

SCHEMBL23110407

Cn1cc(-c2cc3c(cc2NC(=O)c2coc(-c4ccnc(N)c4)n2)CC2(CCNCC2)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
Trifluoroacetic Acid SCHEMBL28911951 0.95 IRAK4 (0.72) IRAK4
SCHEMBL23110402 0.90 IRAK4 (0.66) IRAK4
SCHEMBL23110662 0.88 IRAK4 (1.00) IRAK4
Trifluoroacetic Acid SCHEMBL28559266 0.85 IRAK4 (0.61) IRAK4
SCHEMBL23110405 0.84 IRAK4 (0.78) IRAK4
SCHEMBL23110403 0.80 IRAK4 (1.00) IRAK4
SCHEMBL23110643 0.80 IRAK4 (1.00) IRAK4
SCHEMBL28555183 0.78 IRAK4 (0.61) IRAK4
SCHEMBL23093796 0.78 IRAK4 (0.86) IRAK4
SCHEMBL23110472 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-2021047677-A1 IRAK4 KINASE INHIBITOR AND PREPARATION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2021-03-18 — — WO disclosed
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