SCHEMBL28601989

SCHEMBL28601989

Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(F)(F)F)CC3=O)cc2n1

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.88
PIK3CA P42336 2/20 0.69
PIK3CG P48736 2/20 0.69
PIK3CB P42338 1/20 0.69

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
SCHEMBL28587358 0.94 PIK3CD (1.00) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL28604999 0.85 PIK3CD (0.87) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL28595358 0.85 PIK3CD (0.88) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL28590230 0.85 PIK3CD (0.88) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL30366182 0.85 PIK3CD (0.88) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL28585805 0.85 PIK3CD (0.78) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL30366628 0.84 PIK3CD (0.88) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL28591522 0.84 PIK3CD (0.88) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL28609220 0.82 PIK3CD (0.88) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL28917741 0.82 PIK3CD (1.00) PIK3CDPIK3CAPIK3CGPIK3CB

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-A Piperazinone substituent or derivative thereof, and preparation method, application and pharmaceutical composition thereof 四川大学 2021-06-08 CN disclosed