SCHEMBL16308147

SCHEMBL16308147

CN(C)CC(=O)N[C@H]1CCCC[C@@H]1Nc1nc(N2CCOCC2)cc(-n2c(C(F)F)nc3ccccc32)n1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.65
PIK3CB P42338 19/20 0.55
PIK3CA P42336 11/20 0.55
PIK3CG P48736 9/20 0.48
PIK3R1 P27986 2/20 0.47

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
SCHEMBL16308149 1.00 PIK3CD (0.65) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL10124342 0.90 PIK3CD (0.80) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15029794 0.89 PIK3CD (0.69) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15029321 0.88 PIK3CD (0.71) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL10124352 0.86 PIK3CD (0.68) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL10124722 0.86 PIK3CD (0.67) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL10125674 0.85 PIK3CB (0.58) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15009680 0.84 PIK3CB (0.67) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15029395 0.83 PIK3CB (0.64) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL16308127 0.83 PIK3CB (0.63) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1

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
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed