SCHEMBL899498

SCHEMBL899498

COc1cccc2c1nc(C(F)F)n2-c1nc(-c2ccc(NS(=O)(=O)CCN)cc2)nc(N2CCOCC2)n1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.71
PIK3CD O00329 19/20 0.71
PIK3R1 P27986 19/20 0.71
PIK3CB P42338 15/20 0.71

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
SCHEMBL477551 0.93 PIK3CA (0.64) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL899080 0.92 PIK3CA (0.72) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL29358094 0.91 PIK3CA (0.73) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477656 0.91 PIK3CA (0.73) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL16429406 0.89 PIK3CA (0.71) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477550 0.87 PIK3CA (0.68) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477673 0.85 PIK3CB (0.77) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477736 0.83 PIK3CB (0.80) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477982 0.83 PIK3CA (0.71) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL899653 0.83 PIK3CD (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012044641-A1 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS INC. (US) 2012-04-05 WO claimed
WO-2012044641-A1 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS INC. (US) 2012-04-05 WO disclosed
WO-2012044641-A1 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS INC. (US) 2012-04-05 WO disclosed