SCHEMBL2809679

SCHEMBL2809679

COc1cccc2c1nc(C(F)F)n2-c1nc(NC2CCC(N)CC2)nc(N2CCOCC2)n1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.80
PIK3CD O00329 19/20 0.80
PIK3R1 P27986 19/20 0.80
PIK3CB P42338 13/20 0.78

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
SCHEMBL2814185 1.00 PIK3CA (0.80) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2811916 1.00 PIK3CA (0.80) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477243 0.90 PIK3CA (0.78) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477268 0.90 PIK3CA (0.85) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2812429 0.89 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2812404 0.89 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2812405 0.89 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477244 0.88 PIK3CA (0.77) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477373 0.88 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477337 0.87 PIK3CA (0.79) PIK3CAPIK3CDPIK3R1PIK3CB

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