SCHEMBL18092240

SCHEMBL18092240

COc1cccc2c1nc(C(F)F)n2-c1nc(Nc2cnn(CCCC3COCCN3)c2)nc(N2CCOCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.56
PIK3CB P42338 13/20 0.56
PIK3CD O00329 19/20 0.52
PIK3R1 P27986 19/20 0.52

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
SCHEMBL950596 0.87 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL995298 0.86 PIK3CA (0.67) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL947860 0.85 PIK3CA (0.63) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL952126 0.84 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL950591 0.83 PIK3CA (0.73) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL948177 0.78 PIK3CA (0.79) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL947783 0.77 PIK3CA (0.73) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL948407 0.77 PIK3CA (0.76) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL946591 0.77 PIK3CA (0.76) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL950863 0.76 PIK3CA (0.72) 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
EP-3072890-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI Pharma, Inc. (US) 2016-09-28 EP disclosed