SCHEMBL30772476

SCHEMBL30772476

CS(=O)(=O)N1CCN(Cc2cc3cc(-c4ccnc(N)n4)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.62
PIK3CD O00329 15/20 0.62
PIK3CB P42338 14/20 0.62
PIK3CG P48736 13/20 0.62
MTOR P42345 8/20 0.62
PIK3R1 P27986 6/20 0.61
PIK3C2A O00443 1/20 0.51
PLK4 O00444 1/20 0.51
PIK3R2 O00459 1/20 0.51
PIK3C2B O00750 1/20 0.51
GAK O14976 1/20 0.51
EPHB6 O15197 1/20 0.51
DAPK3 O43293 1/20 0.51
STK16 O75716 1/20 0.51
PIK3C2G O75747 1/20 0.51
NTRK1 P04629 1/20 0.51
NQO2 P16083 1/20 0.51
CSNK2A2 P19784 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51

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
SCHEMBL17822190 0.86 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
Water SCHEMBL29959021 0.83 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
Water SCHEMBL27148410 0.83 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL17835023 0.83 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL17834982 0.80 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL29959501 0.80 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL17822199 0.78 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181228 0.78 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1180968 0.77 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL19549660 0.76 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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-117529325-A Improved process for preparing 7- (morpholinyl) -2- (N-piperazinyl) methylthio [2,3-c ] pyridine derivatives 纳特科药品有限公司 2024-02-06 CN claimed