SCHEMBL17529201

SCHEMBL17529201

CCCCOC(=O)N[C@H]1CC[C@H](CNc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4cccc(C)c43)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 10/20 0.40
PIK3CA P42336 8/20 0.40
PIK3CD O00329 5/20 0.39
NAPEPLD Q6IQ20 2/20 0.39
PIK3R1 P27986 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CG P48736 3/20 0.37
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37

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
SCHEMBL17529135 0.89 PIK3CA (0.47) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL15029932 0.89 NAPEPLD (0.46) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL16308154 0.88 PIK3CB (0.41) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL17529088 0.87 PIK3CB (0.40) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL17529203 0.84 PIK3CA (0.41) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL15029959 0.82 PIK3CB (0.46) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL15029918 0.81 PIK3CB (0.45) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL17529049 0.80 PDCD1 (0.39) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL10124320 0.78 PIK3CB (0.51) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3R1
SCHEMBL15029823 0.77 PIK3CB (0.57) PIK3CBPIK3CAPIK3CDNAPEPLDPIK3CG

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-2604601-B1 HETERO RING COMPOUND ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed