SCHEMBL16308599

SCHEMBL16308599

CC(=O)CN(C)C(=O)[C@H]1CC[C@H](Oc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.53
PIK3CD O00329 16/20 0.52
PIK3CA P42336 14/20 0.52
PIK3CG P48736 12/20 0.51
PIK3R1 P27986 2/20 0.50
PIK3C2B O00750 1/20 0.47
MTOR P42345 1/20 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
SCHEMBL16308641 0.94 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15030087 0.93 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029734 0.91 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15030099 0.91 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029730 0.90 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029747 0.89 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308597 0.88 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029753 0.88 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308600 0.88 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029749 0.88 PIK3CB (0.49) 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
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed