SCHEMBL29122009

SCHEMBL29122009

COC(=O)c1c2cc(Br)ccc2nn1CC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ ROCK1 Q13464 1/20 0.38
▸ KRAS P01116 5/20 0.37
▸ EPHA2 P29317 2/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ FPR2 P25090 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PARG Q86W56 1/20 0.36

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
SCHEMBL29121838 0.84 USP30 (0.41) USP30IDO1TDO2NAMPTROCK1
SCHEMBL29121922 0.83 USP30 (0.43) USP30KRASEPHA2FPR2L3MBTL1
SCHEMBL30676565 0.83 ELANE (0.46) USP30IDO1TDO2NAMPTROCK1
SCHEMBL29121890 0.83 ELANE (0.46) USP30IDO1TDO2NAMPTROCK1
SCHEMBL29121912 0.81 MAPK8 (0.50) MAPK8L3MBTL1
SCHEMBL29122054 0.78 ROCK1 (0.42) USP30IDO1TDO2NAMPTROCK1
SCHEMBL30676500 0.78 ROCK1 (0.42) USP30IDO1TDO2NAMPTROCK1
SCHEMBL29122384 0.78 USP30 (0.44) USP30IDO1TDO2EPHA2FPR2
SCHEMBL29122496 0.78 FPR2 (0.44) USP30FPR2
SCHEMBL31430434 0.76 EGFR (0.41) MAPK8L3MBTL1

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-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 — — CN disclosed
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