SCHEMBL29970828

SCHEMBL29970828

CS(=O)(=O)N1CCN(c2nc(-c3ccc4ncsc4c3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.61
PIK3R1 P27986 3/20 0.49
PIK3CD O00329 3/20 0.49
PIK3CB P42338 3/20 0.49
MTOR P42345 2/20 0.49
PIK3CG P48736 2/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
DYRK2 Q92630 1/20 0.43

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
SCHEMBL30012022 0.83 PIK3CA (0.78) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL28614234 0.83 PIK3CA (0.78) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL28601868 0.82 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL30011591 0.82 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL29970182 0.79 PIK3CA (0.71) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL29970599 0.78 PIK3CA (0.72) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL28608594 0.76 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1309536 0.74 PIK3CA (0.74) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL29971047 0.73 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL30011525 0.72 PIK3CA (0.76) PIK3CAPIK3R1PIK3CDPIK3CBMTOR

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-2022242321-A1 PI3Kα SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 中国药科大学 2022-11-24 WO disclosed