SCHEMBL28653984

SCHEMBL28653984

CC1(CO)Cc2cc([N+](=O)[O-])c(N3CC[CH]CC3)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.42

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
SCHEMBL19044618 0.91 ALDH1A1 (0.45) IRAK4
SCHEMBL19030128 0.89 IRAK4 (0.52) IRAK4
SCHEMBL19030096 0.87 IRAK4 (0.49) IRAK4
SCHEMBL19029985 0.86 IRAK4 (0.49) IRAK4
SCHEMBL19030045 0.86 IRAK4 (0.49) IRAK4
SCHEMBL19030527 0.86 IRAK4 (0.49) IRAK4
SCHEMBL20594277 0.83 IRAK4 (0.41) IRAK4
SCHEMBL19030543 0.83 IRAK4 (0.52) IRAK4
SCHEMBL19030950 0.83 IRAK4 (0.51) IRAK4
SCHEMBL19030071 0.83 IRAK4 (0.51) 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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