SCHEMBL29515467

SCHEMBL29515467

COc1ccc2c(c1)SCc1c(C(=O)O)nn(-c3ccc(CN4CCOCC4)cc3)c1-2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 15/20 0.54
▸ PIK3R2 O00459 15/20 0.54
▸ PIK3CA P42336 15/20 0.54
▸ PIK3CB P42338 15/20 0.54
▸ PIK3CG P48736 15/20 0.54
▸ PIK3R5 Q8WYR1 15/20 0.54
▸ PIK3R3 Q92569 15/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42

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
SCHEMBL29515355 0.88 PIK3CD (0.57) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13109 0.83 PIK3CD (0.74) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082717 0.83 PIK3CD (0.53) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29515387 0.83 PIK3CD (0.74) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29515155 0.82 PIK3CD (0.58) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL24189188 0.81 PIK3CD (0.50) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29515266 0.79 PIK3CD (0.61) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL24188921 0.79 PIK3CD (0.54) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29515240 0.78 PIK3CD (0.62) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29515405 0.77 PIK3CD (0.61) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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
WO-2022022630-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2022-02-03 — — WO disclosed
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