SCHEMBL1126554

SCHEMBL1126554

O=C(O)c1c[nH]c2c(F)c(Cc3ccnc(Br)c3)cc(F)c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
KDM5A P29375 3/20 0.36
KDM5B Q9UGL1 2/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GSK3B P49841 1/20 0.35
TET2 Q6N021 1/20 0.34
TET1 Q8NFU7 1/20 0.34
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL4650790 0.83 KDM5A (0.42) CSNK2A2CSNK2BCSNK2A1KDM5AKDM5B
SCHEMBL4650143 0.82 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL4650012 0.80 PNP (0.41) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL4649448 0.80 CSNK2A1 (0.44) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL4559012 0.79 CHRM1 (0.43) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL4650138 0.79 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL4650109 0.78 CYP1A2 (0.46) CSNK2A2CSNK2BCSNK2A1KDM5AKDM5B
SCHEMBL4649980 0.78 CYP1A2 (0.43) CSNK2A2CSNK2BCSNK2A1CYP1A2HSD17B10
SCHEMBL4649199 0.78 ALDH1A1 (0.43) CSNK2A2CSNK2BCSNK2A1GSK3BKDM4E
SCHEMBL4650011 0.78 KDM4C (0.45) CSNK2A2CSNK2BCSNK2A1KDM5BGSK3B

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-2283015-A2 4-OXO-1,4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2011-02-16 EP disclosed
WO-2009134668-A2 4-OXO-1,4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-11-05 WO disclosed