SCHEMBL17011981

SCHEMBL17011981

COc1cccc2c1nc(CN)n2-c1nc(C2CCCN(S(C)(=O)=O)C2)nc(N2CCOCC2)n1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 20/20 0.77
PIK3CA P42336 20/20 0.77
PIK3CD O00329 19/20 0.77
PIK3CB P42338 13/20 0.77

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
SCHEMBL17011977 0.87 PIK3CD (0.79) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL477254 0.87 PIK3R1 (1.00) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL17012008 0.82 PIK3CD (0.77) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL17011972 0.81 PIK3CD (0.76) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL17011989 0.80 PIK3CA (0.76) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL13165447 0.77 PIK3CD (0.80) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL477309 0.77 PIK3CA (1.00) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL17011982 0.77 PIK3CD (0.78) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL13165464 0.76 PIK3CD (0.80) PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL13128875 0.75 PIK3CD (1.00) PIK3R1PIK3CAPIK3CDPIK3CB

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