SCHEMBL16308494

SCHEMBL16308494

O=C(CCC(=O)N1CC[C@H](Nc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)C1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.61
PIK3CD O00329 15/20 0.60
PIK3CA P42336 11/20 0.60
PIK3CG P48736 9/20 0.60
PIK3R1 P27986 2/20 0.56

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
SCHEMBL17529161 0.94 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308502 0.93 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15030044 0.93 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029697 0.93 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL17529130 0.92 PIK3CB (0.70) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15030042 0.92 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029502 0.92 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308501 0.92 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308499 0.91 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009175 0.91 PIK3CB (0.58) 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 3 patents. 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
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