SCHEMBL30174992

SCHEMBL30174992

O=S1(=O)Cc2c(C(=S)N3CCOCC3)nn(-c3ccc(CN4CCOCC4)cc3)c2-c2cccc(F)c21

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.84
PIK3R2 O00459 20/20 0.84
PIK3CA P42336 20/20 0.84
PIK3CB P42338 20/20 0.84
PIK3CG P48736 20/20 0.84
PIK3R5 Q8WYR1 20/20 0.84
PIK3R3 Q92569 20/20 0.84

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
Roginolisib SCHEMBL12849 0.92 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
Roginolisib SCHEMBL29515379 0.92 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30174986 0.91 PIK3CD (0.70) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL14782 0.91 PIK3CD (0.86) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30460537 0.90 PIK3CD (0.84) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL31568734 0.86 PIK3CD (0.78) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL14814 0.86 PIK3CD (0.78) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
Roginolisib SCHEMBL15942124 0.85 PIK3CD (0.87) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL25224835 0.85 PIK3CD (0.83) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30443259 0.85 PIK3CD (0.83) 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
CN-113754678-B Dihydrothiochromene pyrazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-03-10 CN disclosed