SCHEMBL16308262

SCHEMBL16308262

CC(=O)N(C)[C@H]1CC[C@H](Nc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccc(C)cc43)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.49
PIK3CB P42338 17/20 0.44
PIK3CA P42336 10/20 0.41
PIK3CG P48736 6/20 0.41
PIK3R1 P27986 2/20 0.40

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
SCHEMBL10124672 0.91 PIK3CD (0.59) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15009578 0.90 PIK3CB (0.48) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15009575 0.90 PIK3CB (0.48) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL16309694 0.89 PIK3CB (0.55) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL16309693 0.86 PIK3CD (0.67) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15008839 0.86 PIK3CB (0.50) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15008843 0.86 PIK3CB (0.50) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15009967 0.85 PIK3CB (0.49) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL15009965 0.85 PIK3CB (0.49) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL17529167 0.83 PIK3CB (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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