SCHEMBL478238

SCHEMBL478238

COc1cccc2c1nc(C(F)F)n2-c1cc2c(cnn2C2CCN(C(=O)OC(C)(C)C)CC2)c(N2CCOCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.60
PIK3CD O00329 8/20 0.60
PIK3R1 P27986 8/20 0.60
PIK3CB P42338 7/20 0.60
PIK3CG P48736 4/20 0.51
MTOR P42345 3/20 0.51
ATR Q13535 2/20 0.51
AURKB Q96GD4 1/20 0.51

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
SCHEMBL478237 0.89 PIK3CA (0.76) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL922487 0.83 PIK3CD (0.68) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477434 0.82 PIK3CA (0.75) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL6523363 0.81 PIK3CB (0.76) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL6517150 0.81 PIK3CB (0.76) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL4526879 0.80 PIK3CB (0.76) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL2811151 0.79 PIK3CA (0.75) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2811794 0.78 PIK3CA (0.76) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477420 0.78 PIK3CA (0.73) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477235 0.78 PIK3CA (0.75) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG

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