SCHEMBL29122086

SCHEMBL29122086

COC(=O)c1c2cc(Br)ccc2nn1[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 6/20 0.44
▸ PIK3CD O00329 5/20 0.41
▸ FPR2 P25090 4/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ PIK3CA P42336 3/20 0.39
▸ PIK3CB P42338 3/20 0.39
▸ PIK3CG P48736 3/20 0.39
▸ PIK3R2 O00459 1/20 0.38
▸ PIK3R5 Q8WYR1 1/20 0.38
▸ PIK3R3 Q92569 1/20 0.38
▸ FPR3 P25089 1/20 0.38
▸ EPHA2 P29317 2/20 0.38
▸ BTK Q06187 1/20 0.38
▸ BACE1 P56817 1/20 0.38

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
SCHEMBL29122384 1.00 USP30 (0.44) USP30PIK3CDFPR2IDO1TDO2
SCHEMBL29122091 1.00 USP30 (0.44) USP30PIK3CDFPR2IDO1TDO2
SCHEMBL29122496 0.94 FPR2 (0.44) USP30FPR2BACE1
SCHEMBL29121922 0.92 USP30 (0.43) USP30PIK3CDFPR2FPR3EPHA2
SCHEMBL29121906 0.84 USP30 (0.42) USP30PIK3CDFPR2IDO1TDO2
SCHEMBL29121909 0.84 USP30 (0.42) USP30PIK3CDFPR2IDO1TDO2
SCHEMBL30676577 0.83 USP30 (0.46) USP30PIK3CDFPR2IDO1TDO2
SCHEMBL30676580 0.83 USP30 (0.46) USP30PIK3CDFPR2IDO1TDO2
SCHEMBL29122928 0.83 USP30 (0.46) USP30PIK3CDFPR2IDO1TDO2
SCHEMBL30676433 0.83 USP30 (0.46) USP30PIK3CDFPR2IDO1TDO2

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
Send feedback