SCHEMBL29122756

SCHEMBL29122756

CC(C)(C)OC(=O)N1CC[C@H](n2nc(C(=O)O)c3cc(Br)ccc32)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.45
▸ BTK Q06187 1/20 0.44
▸ PIK3CD O00329 2/20 0.42
▸ PIK3R2 O00459 2/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ PIK3R5 Q8WYR1 2/20 0.42
▸ PIK3R3 Q92569 2/20 0.42
▸ GPR119 Q8TDV5 3/20 0.41
▸ FPR2 P25090 3/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ KRAS P01116 3/20 0.39

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
SCHEMBL29122129 1.00 USP30 (0.45) USP30BTKPIK3CDPIK3R2PIK3CA
SCHEMBL29122133 1.00 USP30 (0.45) USP30BTKPIK3CDPIK3R2PIK3CA
SCHEMBL29121677 0.90 USP30 (0.46) USP30BTKPIK3CDPIK3R2PIK3CA
SCHEMBL30676580 0.90 USP30 (0.46) USP30BTKPIK3CDPIK3R2PIK3CA
SCHEMBL30676577 0.90 USP30 (0.46) USP30BTKPIK3CDPIK3R2PIK3CA
SCHEMBL30676433 0.90 USP30 (0.46) USP30BTKPIK3CDPIK3R2PIK3CA
SCHEMBL29121680 0.90 USP30 (0.46) USP30BTKPIK3CDPIK3R2PIK3CA
SCHEMBL29122928 0.90 USP30 (0.46) USP30BTKPIK3CDPIK3R2PIK3CA
SCHEMBL29121565 0.85 BTK (0.45) USP30BTKPIK3CDPIK3R2PIK3CA
SCHEMBL29121705 0.85 BTK (0.45) USP30BTKPIK3CDPIK3R2PIK3CA

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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