SCHEMBL1386872

SCHEMBL1386872

N=C(N)c1cccc(C(=O)N2CCN(COCCc3ccc4c(N)ncnc4c3)C(=O)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.40
PARP1 P09874 2/20 0.33
MAP4K4 O95819 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL1385978 0.90 F10 (0.39) F10
SCHEMBL4397531 0.88 F10 (0.37) F10MAP4K4
SCHEMBL1386137 0.86 F10 (0.51) F10
SCHEMBL4387285 0.84 F10 (0.44) F10MAP4K4
SCHEMBL1384686 0.79 F10 (0.48) F10
SCHEMBL1386877 0.79 KCNH2 (0.35) F10PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1384276 0.79 F10 (0.39) F10MAP4K4
SCHEMBL1385388 0.78 F10 (0.49) F10
SCHEMBL7146942 0.77 F10 (0.49) F10MAP4K4
SCHEMBL4398522 0.76 F10 (0.37) F10MAP4K4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829449-B2 2011-12-07 JP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed