SCHEMBL477275

SCHEMBL477275

COc1cc(NC(=O)O)cc2c1nc(C(F)F)n2-c1nc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 15/20 0.71
PIK3CA P42336 11/20 0.62
PIK3CD O00329 10/20 0.62
PIK3CG P48736 2/20 0.62
PIK3R1 P27986 8/20 0.57

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
SCHEMBL949619 0.89 PIK3CB (0.66) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL954843 0.87 PIK3CB (0.65) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL28709205 0.83 PIK3CB (0.72) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL28941953 0.83 PIK3CB (0.71) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL477273 0.79 PIK3CA (0.68) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL951269 0.79 PIK3CB (0.58) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL31157034 0.79 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL477354 0.79 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL477982 0.78 PIK3CA (0.71) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL996060 0.78 PIK3CB (0.60) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1

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