SCHEMBL29970516

SCHEMBL29970516

Nc1nc2cc(-c3nc(N4CCNCC4)nc(N4CCOCC4)n3)ccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
PIK3CD O00329 1/20 0.87
PIK3CB P42338 1/20 0.87
PIK3CG P48736 1/20 0.87
PIK3R1 P27986 1/20 0.53
MTOR P42345 1/20 0.53

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
Hydrochloric Acid SCHEMBL28601913 0.99 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL30011234 0.93 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL29969992 0.85 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL28611076 0.84 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL28606396 0.84 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29970025 0.83 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL28599149 0.83 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL29970518 0.83 PIK3CA (0.83) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL28611073 0.82 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL28617236 0.82 PIK3CA (0.78) PIK3CAPIK3CDPIK3CBPIK3CG

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
WO-2022242321-A1 PI3Kα SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 中国药科大学 2022-11-24 WO disclosed