SCHEMBL30366103

SCHEMBL30366103

CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCCC4)C(=O)C3)cc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3CA P42336 2/20 1.00
PIK3CG P48736 1/20 0.76

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
SCHEMBL28605020 1.00 PIK3CD (1.00) PIK3CDPIK3CAPIK3CG
SCHEMBL28596060 0.93 PIK3CD (0.88) PIK3CDPIK3CAPIK3CG
SCHEMBL28591509 0.89 PIK3CD (1.00) PIK3CDPIK3CAPIK3CG
SCHEMBL28917741 0.88 PIK3CD (1.00) PIK3CDPIK3CAPIK3CG
SCHEMBL28604418 0.88 PIK3CD (1.00) PIK3CDPIK3CAPIK3CG
SCHEMBL30366630 0.88 PIK3CD (1.00) PIK3CDPIK3CAPIK3CG
SCHEMBL28917746 0.86 PIK3CD (1.00) PIK3CDPIK3CAPIK3CG
SCHEMBL28596062 0.85 PIK3CD (1.00) PIK3CDPIK3CAPIK3CG
SCHEMBL28605024 0.85 PIK3CD (1.00) PIK3CDPIK3CAPIK3CG
SCHEMBL28918315 0.85 PIK3CD (1.00) PIK3CDPIK3CAPIK3CG

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