SCHEMBL4395028

SCHEMBL4395028

CC1CN(Cc2cccc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)n2)CC(C)O1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.61
PIK3CB P42338 9/20 0.61
PIK3CG P48736 8/20 0.61
PIK3CA P42336 8/20 0.61
PIM1 P11309 7/20 0.61
GSK3B P49841 7/20 0.61
PIK3R2 O00459 1/20 0.39
HPGDS O60760 4/20 0.37
ABL1 P00519 1/20 0.36
CLK2 P49760 2/20 0.35
LRRK2 Q5S007 2/20 0.35
BRD4 O60885 1/20 0.35
S1PR1 P21453 1/20 0.34

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
SCHEMBL458971 1.00 PIK3CD (0.61) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL13570073 1.00 PIK3CD (0.61) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1781765 0.91 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1780764 0.88 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL2215093 0.88 PIK3CD (0.58) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1251729 0.87 PIK3CD (0.63) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1779554 0.87 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1779958 0.87 PIK3CD (0.57) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL1252541 0.86 PIK3CA (0.62) PIK3CDPIK3CBPIK3CGPIK3CAPIM1
SCHEMBL463446 0.86 PIK3CD (0.62) PIK3CDPIK3CBPIK3CGPIK3CAPIM1

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-2009147190-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 WO claimed