SCHEMBL477288

SCHEMBL477288

O=C(O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4c(OCCCO)cccc43)n2)CC1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.85
PIK3CA P42336 16/20 0.85
PIK3CD O00329 14/20 0.85
PIK3R1 P27986 13/20 0.85
PIK3CG P48736 1/20 0.61

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
SCHEMBL2818070 0.92 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL909779 0.90 PIK3CB (0.84) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL477216 0.89 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL2816007 0.87 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL909478 0.87 PIK3CA (0.81) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2817385 0.84 PIK3CB (0.84) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2818127 0.84 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2812275 0.83 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2882248 0.83 PIK3CB (0.80) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL909329 0.83 PIK3CB (0.82) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG

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