SCHEMBL28655849

SCHEMBL28655849

CC1(C)Cc2cc([N+](=O)[O-])c(OC3CCC([O])(C(C)(C)C)CC3)cc2O1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 3/20 0.34
▸ BCOR Q6W2J9 3/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALK Q9UM73 1/20 0.31
▸ TLR3 O15455 1/20 0.31

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
SCHEMBL19030546 0.83 IRAK4 (0.46) BCL6BCORIRAK4MEN1KMT2A
SCHEMBL19030117 0.79 IRAK4 (0.34) BCL6BCORIRAK4MEN1KMT2A
SCHEMBL19030116 0.79 IRAK4 (0.34) BCL6BCORIRAK4MEN1KMT2A
SCHEMBL19030181 0.78 IRAK4 (0.37) BCL6BCORIRAK4MEN1KMT2A
SCHEMBL19030139 0.76 SIRT6 (0.40) IRAK4MEN1KMT2A
SCHEMBL19046170 0.75 PDE4B (0.39) IRAK4
SCHEMBL28668729 0.75 PDE4B (0.39) IRAK4
SCHEMBL19030656 0.75 IRAK4 (0.38) IRAK4MEN1KMT2AALK
SCHEMBL19030657 0.75 IRAK4 (0.38) IRAK4MEN1KMT2AALK
SCHEMBL19030287 0.72 IRAK4 (0.55) IRAK4MEN1KMT2AALK

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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