SCHEMBL30676580

SCHEMBL30676580

COC(=O)c1nn(C2CCN(C(=O)OC(C)(C)C)C2)c2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.46
▸ ELANE P08246 4/20 0.45
▸ GPR119 Q8TDV5 3/20 0.43
▸ BTK Q06187 1/20 0.43
▸ PIK3CD O00329 1/20 0.41
▸ PIK3R2 O00459 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PIK3R5 Q8WYR1 1/20 0.41
▸ PIK3R3 Q92569 1/20 0.41
▸ FPR2 P25090 3/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ KRAS P01116 4/20 0.40

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
SCHEMBL30676433 1.00 USP30 (0.46) USP30ELANEGPR119BTKPIK3CD
SCHEMBL29121680 1.00 USP30 (0.46) USP30ELANEGPR119BTKPIK3CD
SCHEMBL29122928 1.00 USP30 (0.46) USP30ELANEGPR119BTKPIK3CD
SCHEMBL29121677 1.00 USP30 (0.46) USP30ELANEGPR119BTKPIK3CD
SCHEMBL30676577 1.00 USP30 (0.46) USP30ELANEGPR119BTKPIK3CD
SCHEMBL7350588 0.94 GPR119 (0.49) USP30ELANEGPR119PIK3CDPIK3R2
SCHEMBL29122756 0.90 USP30 (0.45) USP30GPR119BTKPIK3CDPIK3R2
SCHEMBL29122129 0.90 USP30 (0.45) USP30GPR119BTKPIK3CDPIK3R2
SCHEMBL29122133 0.90 USP30 (0.45) USP30GPR119BTKPIK3CDPIK3R2
SCHEMBL30676388 0.86 BTK (0.45) USP30GPR119BTKPIK3CDPIK3R2

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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