SCHEMBL17529072

SCHEMBL17529072

CCCCOC(=O)Nc1ccc(Oc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 20/20 0.55
PIK3CD O00329 18/20 0.55
PIK3CA P42336 18/20 0.55
PIK3CG P48736 15/20 0.55
PIK3R1 P27986 3/20 0.55
PIK3C2B O00750 1/20 0.55
MTOR P42345 1/20 0.55

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
SCHEMBL15029616 0.87 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029737 0.82 ALDH1A1 (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009393 0.82 PIK3CB (0.68) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15030086 0.81 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL950361 0.80 PIK3CB (0.79) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308623 0.80 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308638 0.80 PIK3CB (0.66) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029731 0.80 ALDH1A1 (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15030085 0.80 PIK3CB (0.74) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL17529156 0.79 PIK3CB (0.51) 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 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