SCHEMBL28654072

SCHEMBL28654072

CC1(C)Cc2cc(NC(=O)c3cc[nH]n3)c(N3CCOCC3)cc2O1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.77

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
SCHEMBL21840497 0.84 IRAK4 (1.00) IRAK4
SCHEMBL21840528 0.83 IRAK4 (1.00) IRAK4
SCHEMBL29547945 0.83 IRAK4 (0.72) IRAK4
SCHEMBL21840526 0.83 IRAK4 (0.72) IRAK4
SCHEMBL21840503 0.83 IRAK4 (1.00) IRAK4
SCHEMBL21840557 0.82 IRAK4 (1.00) IRAK4
SCHEMBL20594916 0.81 IRAK4 (1.00) IRAK4
SCHEMBL21840512 0.81 IRAK4 (1.00) IRAK4
SCHEMBL21840492 0.81 IRAK4 (1.00) IRAK4
SCHEMBL21840553 0.81 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
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 — — CN disclosed
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