SCHEMBL8638951

SCHEMBL8638951

O=C(O)c1n[nH]c2cccc(Cl)c2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
PBRM1 Q86U86 1/20 0.49
MAP2K4 P45985 4/20 0.48
TTK P33981 3/20 0.46
PRKAB2 O43741 4/20 0.44
PRKAG1 P54619 4/20 0.44
PRKAA2 P54646 4/20 0.44
PRKAA1 Q13131 4/20 0.44
PRKAG3 Q9UGI9 4/20 0.44
PRKAG2 Q9UGJ0 4/20 0.44
PRKAB1 Q9Y478 4/20 0.44
EPHB3 P54753 1/20 0.43
CHEK1 O14757 1/20 0.40
ALPL P05186 1/20 0.40
GPR17 Q13304 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL7374273 0.92 GAA (0.54) GAAPBRM1MAP2K4TTKPRKAB2
SCHEMBL2071431 0.82 KDM4E (0.55) GAAPBRM1MAP2K4TTKEPHB3
SCHEMBL8830103 0.81 CTNNB1 (0.42) TTKPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2072624 0.79 KDM4E (0.45) GAAMAP2K4
SCHEMBL7304420 0.79 PRKAG1 (0.36) MAP2K4TTKPRKAB2PRKAG1PRKAA2
SCHEMBL1967918 0.77 GPR17 (0.43) MAP2K4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28497966 0.77 PARP1 (0.45) PBRM1MAP2K4PRKAB2PRKAG1PRKAA2
SCHEMBL9079135 0.76 NPC1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9078171 0.76 HAO1 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL904609 0.76 CYP1A2 (0.48) CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519140-B1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acids, esters and salts thereof, and intermediates used in this method HYBRINOVA (FR) 1998-07-29 EP disclosed
US-5304672-A Intermediates for pollen suppressants ORSAN (FR) 1994-04-19 US disclosed
US-5183891-A Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation ORSAN (FR) 1993-02-02 US disclosed
EP-0519140-A1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation HYBRINOVA (FR) 1992-12-23 EP disclosed