SCHEMBL23110735

SCHEMBL23110735

CC1(C)Cc2cc(NC(=O)c3coc(-c4ccnc(N)c4)n3)c(N3CCC(C=O)CC3)cc2O1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.85

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
SCHEMBL23110455 0.92 IRAK4 (1.00) IRAK4
SCHEMBL23110496 0.91 IRAK4 (1.00) IRAK4
SCHEMBL30090079 0.90 IRAK4 (1.00) IRAK4
SCHEMBL30090080 0.90 IRAK4 (1.00) IRAK4
SCHEMBL23093800 0.90 IRAK4 (1.00) IRAK4
SCHEMBL23110635 0.90 IRAK4 (1.00) IRAK4
SCHEMBL23110634 0.90 IRAK4 (1.00) IRAK4
SCHEMBL23110720 0.90 IRAK4 (0.87) IRAK4
SCHEMBL23093911 0.89 IRAK4 (0.84) IRAK4
SCHEMBL30090035 0.89 IRAK4 (0.84) 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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