SCHEMBL28585802

SCHEMBL28585802

O=C1CN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CCN1CC1CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.65
PIK3CA P42336 7/20 0.48
PIK3CB P42338 3/20 0.47
PIK3R1 P27986 2/20 0.47
PIK3CG P48736 3/20 0.45

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
SCHEMBL1088667 0.86 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL1088829 0.86 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL994336 0.84 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL1088257 0.82 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL1181139 0.81 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL30366182 0.81 PIK3CD (0.88) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28590230 0.81 PIK3CD (0.88) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16173520 0.80 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL993592 0.80 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG
SCHEMBL1181174 0.80 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3R1PIK3CG

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 2 patents. 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
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