SCHEMBL477975

SCHEMBL477975

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCN([S+](C)[O-])CC2)n1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 5/20 0.82
PIK3CA P42336 17/20 0.74
PIK3CD O00329 6/20 0.74
PIK3R1 P27986 6/20 0.74
PIK3CG P48736 2/20 0.62

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
SCHEMBL3568141 0.91 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477473 0.86 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15029303 0.85 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477403 0.85 PIK3CA (1.00) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL31156985 0.85 PIK3CB (0.84) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL950302 0.84 PIK3CB (0.87) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL31157029 0.84 PIK3CB (0.87) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL31156981 0.83 PIK3CB (0.81) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL13673698 0.83 PIK3CD (0.87) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL3573070 0.83 PIK3CB (0.84) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG

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-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP claimed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO claimed