SCHEMBL17004643

SCHEMBL17004643

CCS(=O)(=O)Nc1ccc(Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4c(OC)cccc43)n2)cn1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.66
PIK3CD O00329 17/20 0.66
PIK3R1 P27986 17/20 0.66
PIK3CB P42338 13/20 0.65

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
SCHEMBL477726 0.93 PIK3CA (0.68) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL12924374 0.89 PIK3CA (0.71) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL947783 0.86 PIK3CA (0.73) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL994486 0.86 PIK3CB (0.73) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL12950067 0.86 PIK3CA (0.73) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL947054 0.85 PIK3CA (0.72) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL12924332 0.85 PIK3CA (0.72) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL994241 0.85 PIK3CA (0.62) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477366 0.85 PIK3CA (0.65) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL946591 0.84 PIK3CA (0.76) 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
EP-2411387-B1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY VETDC INC (US) 2015-08-19 EP disclosed