SCHEMBL4442917

SCHEMBL4442917

CS(=O)(=O)c1ccccc1-c1nc2cc(F)ccc2cc1CCNc1ncnc2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.42
PIK3CG P48736 6/20 0.38
PIK3CA P42336 4/20 0.38
PIK3CB P42338 4/20 0.38
ADRA1D P25100 4/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3R1 P27986 2/20 0.33
SIRT1 Q96EB6 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL4432954 0.85 PIK3CD (0.38) PIK3CDPIK3CGPIK3CAPIK3CBMAPK1
SCHEMBL15320238 0.83 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL17240937 0.81 PIK3CG (0.52) PIK3CDPIK3CGPIK3CAPIK3CBMAPK1
SCHEMBL4184951 0.81 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL27781233 0.81 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
Water SCHEMBL17240976 0.80 PIK3CG (0.51) PIK3CDPIK3CGPIK3CAPIK3CBMAPK1
SCHEMBL4435013 0.80 PIK3CD (0.37) PIK3CDPIK3CGPIK3CAPIK3CBMAPK1
SCHEMBL4442948 0.78 PIK3CG (0.43) PIK3CDPIK3CGPIK3CAPIK3CBMAPK1
SCHEMBL248986 0.78 PIK3CD (0.40) PIK3CDPIK3CGPIK3CAPIK3CBMAPK1
SCHEMBL249625 0.77 PIK3CD (0.35) PIK3CDPIK3CGPIK3CAPIK3CBMAPK1

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-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed