SCHEMBL28899145

SCHEMBL28899145

CN1CCC(c2ccccc2CC(C)(C)Nc2nc(C3CNCCO3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.43
PIK3CD O00329 14/20 0.39
PIK3CA P42336 8/20 0.39
PIK3CG P48736 8/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3C2B O00750 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL28900047 0.96 PIK3CB (0.42) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL28899143 0.94 PIK3CB (0.45) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL28468496 0.93 PIK3CB (0.42) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL28466042 0.93 PIK3CB (0.42) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL28459214 0.93 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL28470682 0.92 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL28471861 0.92 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL28465744 0.89 PIK3CB (0.42) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL28465987 0.89 PIK3CB (0.43) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL28459182 0.87 PIK3CB (0.42) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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-107501241-B Compounds, pharmaceutical compositions containing them and their use in the treatment of proliferative diseases 梅制药公司 2020-10-13 CN disclosed