SCHEMBL16308154

SCHEMBL16308154

Cc1cccc2nc(C(F)F)n(-c3cc(N4CCOCC4)nc(NC[C@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)n3)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 8/20 0.41
PIK3CA P42336 7/20 0.41
PIK3CD O00329 4/20 0.41
ACACB O00763 4/20 0.40
ACACA Q13085 4/20 0.40
NAPEPLD Q6IQ20 2/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CG P48736 2/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL15029932 0.91 NAPEPLD (0.46) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL10124320 0.89 PIK3CB (0.51) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL16308153 0.89 PIK3CA (0.48) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL17529201 0.88 PIK3CB (0.40) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL16308168 0.86 PIK3CB (0.41) PIK3CBPIK3CAPIK3CDACACBACACA
SCHEMBL16308169 0.86 PIK3CB (0.41) PIK3CBPIK3CAPIK3CDACACBACACA
SCHEMBL10124715 0.85 PIK3CB (0.41) PIK3CBPIK3CAPIK3CDACACBACACA
SCHEMBL10124714 0.85 PIK3CB (0.41) PIK3CBPIK3CAPIK3CDACACBACACA
SCHEMBL16308260 0.84 PIK3CB (0.49) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL15029959 0.83 PIK3CB (0.46) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1

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