SCHEMBL477528

SCHEMBL477528

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CC(NS(=O)(=O)CC[As](C)C)C2)n1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.81
PIK3CD O00329 19/20 0.81
PIK3R1 P27986 19/20 0.81
PIK3CB P42338 15/20 0.81

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
SCHEMBL2811279 0.90 PIK3CA (0.82) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477301 0.90 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477332 0.88 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477227 0.87 PIK3CA (0.83) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2811277 0.86 PIK3CA (0.85) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477502 0.84 PIK3CA (0.82) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2810746 0.84 PIK3CD (1.00) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477727 0.83 PIK3CA (0.81) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477730 0.83 PIK3CA (0.82) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2813380 0.83 PIK3CA (0.83) PIK3CAPIK3CDPIK3R1PIK3CB

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 disclosed
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 disclosed