SCHEMBL23110503

SCHEMBL23110503

CC1(C)Cc2cc(NC(=O)c3coc(-c4ccncc4)n3)c(N3CCOCC3)cc2O1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.82

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
SCHEMBL21840495 0.90 IRAK4 (1.00) IRAK4
SCHEMBL23110458 0.90 IRAK4 (1.00) IRAK4
SCHEMBL23110647 0.89 IRAK4 (0.83) IRAK4
SCHEMBL21840546 0.89 IRAK4 (1.00) IRAK4
SCHEMBL21840512 0.85 IRAK4 (1.00) IRAK4
SCHEMBL21840553 0.85 IRAK4 (1.00) IRAK4
SCHEMBL21840523 0.84 IRAK4 (1.00) IRAK4
SCHEMBL21840528 0.83 IRAK4 (1.00) IRAK4
SCHEMBL21840511 0.83 IRAK4 (1.00) IRAK4
SCHEMBL21840557 0.82 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 2 patents. 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
CN-112480101-A IRAK4 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2021-03-12 — — CN disclosed
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