SCHEMBL29121909

SCHEMBL29121909

CC(C)(C)OC(=O)N1CCC(n2nc3ccc(Br)cc3c2CO)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ BTK Q06187 1/20 0.40
▸ FPR2 P25090 3/20 0.39
▸ SRC P12931 3/20 0.39
▸ EGFR P00533 1/20 0.39
▸ PIK3CD O00329 4/20 0.39
▸ PIK3CA P42336 3/20 0.39
▸ PIK3CB P42338 3/20 0.39
▸ PIK3CG P48736 3/20 0.39
▸ PIK3R2 O00459 1/20 0.39
▸ PIK3R5 Q8WYR1 1/20 0.39
▸ PIK3R3 Q92569 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ HCAR1 Q9BXC0 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 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
SCHEMBL29121906 1.00 USP30 (0.42) USP30IDO1TDO2BTKFPR2
SCHEMBL29122015 0.94 GPR119 (0.43) USP30FPR2GPR119HCAR1
SCHEMBL29122435 0.92 USP30 (0.42) USP30IDO1TDO2FPR2
SCHEMBL29122614 0.85 POLB (0.35) BTKFPR2
SCHEMBL29122612 0.85 POLB (0.35) BTKFPR2
SCHEMBL29122091 0.84 USP30 (0.44) USP30IDO1TDO2BTKFPR2
SCHEMBL29122384 0.84 USP30 (0.44) USP30IDO1TDO2BTKFPR2
SCHEMBL29122086 0.84 USP30 (0.44) USP30IDO1TDO2BTKFPR2
SCHEMBL29121705 0.83 BTK (0.45) USP30IDO1TDO2BTKFPR2
SCHEMBL30676570 0.83 BTK (0.45) USP30IDO1TDO2BTKFPR2

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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