SCHEMBL954843

SCHEMBL954843

COc1cc(NC(=O)O)cc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(-n2cccn2)n1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 15/20 0.65
PIK3CA P42336 12/20 0.57
PIK3CD O00329 10/20 0.57
PIK3CG P48736 2/20 0.57
PIK3R1 P27986 8/20 0.53

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
SCHEMBL996060 0.90 PIK3CB (0.60) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL477275 0.87 PIK3CB (0.71) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL951651 0.84 PIK3CB (0.81) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL949736 0.82 PIK3CA (0.81) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL949619 0.77 PIK3CB (0.66) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL477982 0.76 PIK3CA (0.71) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL477273 0.75 PIK3CA (0.68) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL995140 0.74 PIK3CB (0.59) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL955356 0.73 PIK3CB (0.59) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL996695 0.73 PIK3CB (0.56) 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-2451802-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-05-16 EP disclosed
WO-2011005119-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 WO disclosed