SCHEMBL28356926

SCHEMBL28356926

CC1(C)Cc2cc(-c3cn(-c4cc[nH]c(=O)c4)nc3C(N)=O)c(N3CCOCC3)cc2O1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.61

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
SCHEMBL20595007 0.76 IRAK4 (1.00) IRAK4
SCHEMBL19030478 0.68 IRAK4 (0.62) IRAK4
SCHEMBL28408028 0.67 IRAK4 (0.48) IRAK4
SCHEMBL21840493 0.65 IRAK4 (1.00) IRAK4
SCHEMBL19030256 0.64 IRAK4 (0.51) IRAK4
SCHEMBL21840500 0.63 IRAK4 (1.00) IRAK4
SCHEMBL19045869 0.63 IRAK4 (0.55) IRAK4
SCHEMBL28654072 0.62 IRAK4 (0.77) IRAK4
SCHEMBL24375574 0.62 IRAK4 (0.68) IRAK4
SCHEMBL22150604 0.62 PIK3CA (0.49) —

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-110770229-A Benzofuran compounds as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-02-07 — — CN disclosed
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