SCHEMBL16504252

SCHEMBL16504252

NCC1CCC(Nc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.62
PIK3CD O00329 8/20 0.54
PIK3CA P42336 6/20 0.51
PIK3CG P48736 6/20 0.51
PIK3R1 P27986 2/20 0.50
PIK3C2B O00750 1/20 0.50
MTOR P42345 1/20 0.50

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
SCHEMBL10124539 1.00 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10125671 0.90 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124319 0.90 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL9950139 0.90 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL9950141 0.90 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124721 0.89 PIK3CD (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10153853 0.88 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029981 0.88 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124616 0.88 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL9950647 0.88 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed