SCHEMBL30366373

SCHEMBL30366373

Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CO)cc2n1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.69
PIK3CA P42336 8/20 0.67
PIK3R1 P27986 7/20 0.67
MTOR P42345 4/20 0.62
PIK3CB P42338 1/20 0.58
PIK3CG P48736 1/20 0.58

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
SCHEMBL28597630 1.00 PIK3CD (0.69) PIK3CDPIK3CAPIK3R1MTORPIK3CB
SCHEMBL28918295 0.91 PIK3CD (0.72) PIK3CDPIK3CAPIK3CG
SCHEMBL2674625 0.84 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2673524 0.84 PIK3CD (0.73) PIK3CDPIK3CAPIK3CG
SCHEMBL190336 0.83 PIK3CD (0.86) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2675377 0.83 PIK3CD (0.70) PIK3CDPIK3CA
SCHEMBL2674722 0.82 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2674338 0.82 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL2674154 0.81 PIK3CD (1.00) PIK3CDPIK3CA
SCHEMBL1867881 0.80 PIK3CA (0.66) PIK3CDPIK3CAPIK3R1MTORPIK3CB

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-112920199-B Piperazinone substituent or derivative thereof, preparation method and application thereof, and pharmaceutical composition 四川大学 2023-02-03 CN disclosed