SCHEMBL2789704

SCHEMBL2789704

COc1cccc2c1nc(C(F)F)n2-c1nc(NCCC(C)N(C)C2CCN(S(C)(=O)=O)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 0.74

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
SCHEMBL477360 0.85 PIK3R1 (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477325 0.84 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15855488 0.83 PIK3R1 (0.75) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477373 0.83 PIK3CA (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL13128865 0.82 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477267 0.82 PIK3CA (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL13128864 0.82 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL13128872 0.81 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL13128870 0.81 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477249 0.81 PIK3CA (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
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