SCHEMBL17004657

SCHEMBL17004657

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCCCC2NS(=O)(=O)CCN(C)C)n1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.81
PIK3R1 P27986 20/20 0.81
PIK3CA P42336 20/20 0.81
PIK3CB P42338 14/20 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
SCHEMBL2810746 0.89 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477497 0.88 PIK3CA (0.78) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477301 0.88 PIK3CA (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2810657 0.86 PIK3CA (0.79) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL13128895 0.83 PIK3CA (0.88) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2813826 0.83 PIK3CD (0.81) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477230 0.83 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2809893 0.82 PIK3CA (0.80) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL478384 0.82 PIK3CA (0.69) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477340 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 1 patent. 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 disclosed