SCHEMBL477577

SCHEMBL477577

COc1cccc2c1nc(C(F)F)n2-c1nc(OC2CCN(S(=O)(=O)CCN3CCN([S+](C)[O-])CC3)CC2)nc(N2CCOCC2)n1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.74
PIK3R1 P27986 20/20 0.74
PIK3CA P42336 20/20 0.74
PIK3CB P42338 14/20 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
SCHEMBL477298 0.93 PIK3CD (0.83) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477339 0.92 PIK3CD (0.84) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2814365 0.85 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477326 0.84 PIK3CA (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477258 0.84 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2814581 0.83 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477270 0.83 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL2816977 0.83 PIK3CD (0.98) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL13155335 0.83 PIK3CD (0.69) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2816937 0.82 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB

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
EP-2411387-B1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY VETDC INC (US) 2015-08-19 EP claimed
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