SCHEMBL23110643

SCHEMBL23110643

CCn1cc(-c2cc3c(cc2NC(=O)c2coc(-c4ccnc(N)c4)n2)CC(C)(C)O3)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 1.00

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
SCHEMBL23110662 0.91 IRAK4 (1.00) IRAK4
SCHEMBL23110403 0.88 IRAK4 (1.00) IRAK4
SCHEMBL23093796 0.87 IRAK4 (0.86) IRAK4
SCHEMBL23110471 0.86 IRAK4 (1.00) IRAK4
SCHEMBL23110472 0.86 IRAK4 (1.00) IRAK4
SCHEMBL23110658 0.86 IRAK4 (0.87) IRAK4
SCHEMBL30090063 0.86 IRAK4 (1.00) IRAK4
SCHEMBL30090071 0.86 IRAK4 (0.87) IRAK4
SCHEMBL23110406 0.86 IRAK4 (1.00) IRAK4
SCHEMBL23093809 0.86 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480101-B IRAK4 kinase inhibitor, preparation and application thereof 中国科学院上海药物研究所 2022-11-25 — — CN disclosed
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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