SCHEMBL7873067

SCHEMBL7873067

CCc1nc(N)ccc1-c1c(-c2ccc(C(=O)O)c(F)c2)ccnc1CC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.56
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51
GABRA6 Q16445 1/20 0.51
GABRG1 Q8N1C3 1/20 0.51
GABRG3 Q99928 1/20 0.51
GABRQ Q9UN88 1/20 0.51

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
SCHEMBL7880093 0.89 MTOR (0.54) MTOR
SCHEMBL7880600 0.87 MTOR (0.54) MTOR
SCHEMBL696123 0.84 MTOR (0.77) MTOR
SCHEMBL12774605 0.83 MTOR (0.75) MTOR
SCHEMBL12774609 0.81 MTOR (0.76) MTOR
SCHEMBL12774620 0.79 MTOR (0.76) MTOR
SCHEMBL6894186 0.78 PIK3CA (0.52) MTOR
SCHEMBL12774558 0.77 MTOR (0.55) MTOR
SCHEMBL695185 0.77 MTOR (0.75) MTOR
SCHEMBL12773461 0.77 MTOR (0.77) MTOR

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
WO-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed