SCHEMBL477282

SCHEMBL477282

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)c2[nH]c(=O)n(C3CCN(C(=O)O)CC3)c2n1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.81
PIK3CD O00329 13/20 0.81
PIK3R1 P27986 13/20 0.81
PIK3CB P42338 10/20 0.58

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
SCHEMBL2811794 0.91 PIK3CA (0.76) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2815505 0.90 PIK3CA (0.83) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477284 0.89 PIK3R1 (1.00) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL909478 0.79 PIK3CA (0.81) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL909981 0.79 PIK3CA (0.78) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL478197 0.79 PIK3CA (0.59) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477337 0.77 PIK3CA (0.79) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL910316 0.77 PIK3CA (0.79) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477434 0.76 PIK3CA (0.75) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2811151 0.76 PIK3CA (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP disclosed
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