SCHEMBL22230488

SCHEMBL22230488

Cc1ccc(-c2cncc(N)c2)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.56
PIK3CD O00329 4/20 0.50
PIK3CB P42338 3/20 0.50
MAPT P10636 1/20 0.50
MCL1 Q07820 3/20 0.47
PIK3CA P42336 3/20 0.47
PI4KA P42356 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
ACLY P53396 2/20 0.45
PTGES2 Q9H7Z7 1/20 0.44
MTOR P42345 1/20 0.44
BRD4 O60885 1/20 0.44

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
SCHEMBL22230460 0.81 TP53 (0.54) PIK3CGPIK3CDPIK3CBMAPTMCL1
SCHEMBL29808034 0.81 TP53 (0.54) PIK3CGPIK3CDPIK3CBMAPTMCL1
SCHEMBL29807776 0.81 PIK3CD (0.74) PIK3CGPIK3CDPIK3CBPIK3CAPI4KA
SCHEMBL28800823 0.81 PIK3CD (0.74) PIK3CGPIK3CDPIK3CBPIK3CAPI4KA
SCHEMBL2118244 0.80 ABCB1 (0.51) PIK3CGPIK3CDPIK3CBPIK3CAPIK3C3
SCHEMBL18757864 0.79 KEAP1 (0.56) MAPTBRD4
SCHEMBL2120602 0.78 HSD11B1 (0.45) PIK3CGPIK3CDPIK3CBPIK3CAPI4KA
SCHEMBL22230627 0.78 PIK3CD (0.56) PIK3CGPIK3CDPIK3CBMAPTMCL1
SCHEMBL22246659 0.78 PIK3CG (0.47) PIK3CGPIK3CDPIK3CBMAPTMCL1
SCHEMBL22246951 0.78 PIK3CG (0.49) PIK3CGPIK3CDPIK3CBMAPTMCL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721531-B Novel liposome kinase inhibitor 中国科学院合肥物质科学研究院 2022-07-29 CN disclosed
WO-2020147097-A1 NOVEL LIPOSOME KINASE INHIBITOR 中国科学院合肥物质科学研究院 2020-07-23 WO disclosed
WO-2020147097-A1 NOVEL LIPOSOME KINASE INHIBITOR 中国科学院合肥物质科学研究院 2020-07-23 WO disclosed