SCHEMBL2632926

SCHEMBL2632926

O=C(CNCCF)Nc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(C=S)ccc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.53
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
PRKDC P78527 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.53
MAPT P10636 10/20 0.41
KDM4E B2RXH2 5/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
LMNA P02545 5/20 0.40
POLB P06746 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL189399 0.86 PIK3CG (0.69) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13452363 0.78 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189045 0.78 PIK3CG (0.72) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189140 0.77 PIK3CG (0.71) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189691 0.76 PIK3CG (0.74) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188828 0.75 PIK3CG (0.78) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189686 0.74 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189522 0.72 PIK3CG (0.77) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189296 0.71 PIK3CG (0.69) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL14873744 0.71 PIK3CG (0.80) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC

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-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP disclosed