SCHEMBL1708714

SCHEMBL1708714

Cc1nc(N2CCOCC2)nc(C)c1-c1cccc2c1OC[C@H]2Nc1ccc2c(c1)CO[C@H]2CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.37
PIK3CA P42336 9/20 0.37
PIK3CG P48736 6/20 0.37
PIK3CD O00329 5/20 0.37
PIK3CB P42338 5/20 0.37
FFAR1 O14842 1/20 0.34

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
SCHEMBL1708183 0.85 FFAR1 (0.39) MTORPIK3CAFFAR1
SCHEMBL1708704 0.81 GAA (0.39) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL13047337 0.79 FFAR1 (0.37) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1708213 0.79 MTOR (0.36) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1707916 0.79 MTOR (0.36) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL10010044 0.79 PIK3CA (0.39) MTORPIK3CAPIK3CG
SCHEMBL10291211 0.79 MTOR (0.34) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1707924 0.79 FFAR1 (0.40) FFAR1
SCHEMBL1708185 0.78 ALDH1A1 (0.37) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1708215 0.77 ALDH1A1 (0.36) MTORPIK3CAPIK3CGPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed