SCHEMBL13154809

SCHEMBL13154809

Cc1nc2c(O)cccc2n1-c1nc(N2CCOCC2)nc(N2CCN(S(=O)(=O)CCc3ccncc3)CC2)n1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.65
PIK3CA P42336 20/20 0.65
PIK3R1 P27986 19/20 0.65
PIK3CB P42338 14/20 0.51
PIK3CG P48736 1/20 0.51

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
SCHEMBL17011983 0.89 PIK3CD (0.83) PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL477221 0.79 PIK3CD (1.00) PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL374947 0.69 PIK3CB (1.00) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL12789917 0.68 PIK3CD (0.69) PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL12789920 0.68 PIK3CD (0.69) PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL477689 0.68 PIK3CD (1.00) PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL2956569 0.67 PIK3CB (0.77) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL477387 0.67 PIK3CD (0.84) PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL2958351 0.67 PIK3CB (0.80) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2950686 0.67 PIK3CB (0.76) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG

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 disclosed