SCHEMBL16308604

SCHEMBL16308604

O=C([C@H]1CC[C@H](Oc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)CC1)N1CCCC(O)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.56
PIK3CD O00329 13/20 0.56
PIK3CA P42336 12/20 0.56
PIK3CG P48736 10/20 0.54
PIK3R1 P27986 2/20 0.48
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
SCHEMBL16308602 0.96 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308603 0.96 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029748 0.92 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029562 0.91 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308605 0.91 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029969 0.91 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029726 0.90 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029911 0.90 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15008933 0.90 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029814 0.90 PIK3CB (0.59) 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