SCHEMBL30090141

SCHEMBL30090141

CC1(CO)Cc2cc(N)c(N3CCC(CO)CC3)cc2O1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.51

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
SCHEMBL19029928 1.00 IRAK4 (0.51) IRAK4
SCHEMBL19029913 0.88 IRAK4 (0.51) IRAK4
SCHEMBL30090056 0.88 IRAK4 (0.51) IRAK4
SCHEMBL19046056 0.87 IRAK4 (0.44) IRAK4
SCHEMBL19029878 0.85 IRAK4 (0.53) IRAK4
SCHEMBL19030407 0.85 IRAK4 (0.51) IRAK4
SCHEMBL29935373 0.85 IRAK4 (0.51) IRAK4
SCHEMBL19030515 0.85 IRAK4 (0.51) IRAK4
SCHEMBL19044655 0.85 IRAK4 (0.51) IRAK4
SCHEMBL19029881 0.84 IRAK4 (0.54) 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-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
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