SCHEMBL3379185

SCHEMBL3379185

COc1ccc2ncc(F)c(N)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.41
KCNH2 Q12809 4/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL30775555 1.00 MAP4K4 (0.41) MAP4K4KCNH2KDM4ENPC1GAA
SCHEMBL14126236 0.82 KCNH2 (0.39) MAP4K4KCNH2EGFR
SCHEMBL18544272 0.82 KCNH2 (0.39) MAP4K4KCNH2EGFR
SCHEMBL2490082 0.81 ERN1 (0.44) KCNH2
SCHEMBL4502318 0.81 KCNH2 (0.43) KCNH2EGFR
SCHEMBL5437179 0.81 MAP4K4 (0.41) MAP4K4KCNH2KDM4ENPC1GAA
SCHEMBL29692876 0.81 ERN1 (0.44) KCNH2
SCHEMBL3618066 0.81 KCNH2 (0.39) MAP4K4KCNH2EGFR
SCHEMBL2038287 0.81 MAP4K4 (0.41) MAP4K4KDM4ENPC1GAAMAPT
SCHEMBL29692870 0.81 EGFR (0.41) KCNH2EGFR

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
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed