SCHEMBL16332173

SCHEMBL16332173

c1ccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.53
KCNH2 Q12809 3/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 2/20 0.47
CASP1 P29466 1/20 0.47
CBFB Q13951 1/20 0.46
CSF1R P07333 1/20 0.46
PRMT5 O14744 2/20 0.45
PARP1 P09874 1/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MTOR P42345 1/20 0.45
FGFR1 P11362 1/20 0.45
STK4 Q13043 1/20 0.44
STK3 Q13188 1/20 0.44
LRRK2 Q5S007 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL22191580 0.87 KCNH2 (0.52) KCNH2KDM4ELMNAHSD17B10PARP1
SCHEMBL30828927 0.87 KCNH2 (0.52) KCNH2KDM4ELMNAHSD17B10PARP1
SCHEMBL22199048 0.87 KCNH2 (0.52) GRIN2BKCNH2KDM4ELMNAPARP1
SCHEMBL16331757 0.86 PIK3CA (0.59) KCNH2PARP1GAAMTOR
SCHEMBL16332379 0.84 KCNH2 (0.66) GRIN2BKCNH2PRMT5GAAMEN1
SCHEMBL16332190 0.84 FYN (0.55) KCNH2KDM4EPRMT5PARP1GAA
SCHEMBL16331759 0.83 FYN (0.57) KCNH2KDM4ELMNAHSD17B10PARP1
SCHEMBL22216100 0.82 KCNH2 (0.47) KCNH2LMNAPARP1MEN1KMT2A
SCHEMBL31271880 0.82 KCNH2 (0.47) KCNH2LMNAPARP1MEN1KMT2A
SCHEMBL16332001 0.80 KCNH2 (0.48) KCNH2

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-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 EP claimed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 EP disclosed