SCHEMBL2790348

SCHEMBL2790348

COc1cccc2c1nc(C(F)F)n2-c1nc(C2=CN(C(=O)O)CCC2)nc(N2CCOCC2)n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.69
PIK3CB P42338 10/20 0.69
PIK3CD O00329 13/20 0.62
PIK3R1 P27986 13/20 0.62

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
SCHEMBL2813608 0.91 PIK3CA (0.65) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL909478 0.83 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL3563102 0.83 PIK3CB (1.00) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL17004656 0.82 PIK3CB (0.94) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL2770694 0.81 PIK3CB (0.92) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL477629 0.80 PIK3CA (0.78) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL477982 0.79 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL952221 0.79 PIK3CB (0.83) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL477961 0.79 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL31157034 0.79 PIK3CB (0.90) PIK3CAPIK3CBPIK3CDPIK3R1

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
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