SCHEMBL29515355

SCHEMBL29515355

O=C(O)c1nn(-c2ccc(CN3CCOCC3)cc2)c2c1CSc1cc(Cl)ccc1-2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 19/20 0.57
▸ PIK3R2 O00459 19/20 0.57
▸ PIK3CA P42336 19/20 0.57
▸ PIK3CB P42338 19/20 0.57
▸ PIK3CG P48736 19/20 0.57
▸ PIK3R5 Q8WYR1 19/20 0.57
▸ PIK3R3 Q92569 19/20 0.57
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29515467 0.88 PIK3CD (0.54) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29515240 0.82 PIK3CD (0.62) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL24188775 0.81 PIK3CD (0.79) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29515356 0.81 PIK3CD (0.79) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL24189188 0.80 PIK3CD (0.50) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29515405 0.80 PIK3CD (0.61) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL24188921 0.80 PIK3CD (0.54) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29515266 0.80 PIK3CD (0.61) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30460541 0.78 PIK3CD (0.58) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29515155 0.78 PIK3CD (0.58) 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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