SCHEMBL462894

SCHEMBL462894

COc1ncc(-c2cc(-c3nnc(CN4CCN(C(C)C)CC4)o3)c3cnn(C)c3c2)cc1CS(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.41
PIK3CA P42336 14/20 0.40
PIK3R1 P27986 13/20 0.40
PIK3CB P42338 12/20 0.34
PIK3CG P48736 11/20 0.34
PIK3R2 O00459 1/20 0.34
MTOR P42345 1/20 0.32

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
SCHEMBL16667368 0.86 PIK3CD (0.40) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL714978 0.86 PIK3CD (0.55) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL461788 0.77 PIK3CD (0.66) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL470228 0.74 PIK3CD (0.46) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL470413 0.74 RAB9A (0.37) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL458541 0.73 PIK3CD (0.42) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL16667395 0.73 PIK3CD (0.53) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL16667284 0.73 PIK3CD (0.44) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL461724 0.73 PIK3CD (0.45) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL457776 0.72 PIK3CD (0.61) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG

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
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed