SCHEMBL2464682

SCHEMBL2464682

Nc1c(F)c(OC(=O)O)nc(-c2ccc(Cl)cc2F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.42
KMO O15229 2/20 0.41
CNR1 P21554 5/20 0.37
CNR2 P34972 3/20 0.37
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
CHEK2 O96017 1/20 0.36
PRKCG P05129 1/20 0.36
CDK1 P06493 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
MAPK1 P28482 1/20 0.36
FRK P42685 1/20 0.36
MAPK8 P45983 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
SCHEMBL2466316 0.91 GRM2 (0.41) GRM2KMOCNR1CNR2CDC7
SCHEMBL2465710 0.90 CNR1 (0.43) CNR1CNR2CDC7CDK2
SCHEMBL2469859 0.81 CNR1 (0.43) CNR1CNR2CDC7CDK2CSNK1A1
SCHEMBL9938760 0.81 CNR1 (0.34) GRM2KMOCNR1CNR2MAPK1
SCHEMBL2464681 0.81 KMO (0.47) GRM2KMOCDC7PLK4MAPK13
SCHEMBL2469186 0.81 CDC7 (0.40) GRM2CNR1CNR2CDC7CDK2
SCHEMBL2464645 0.80 TSPO (0.39) KMOCNR1
SCHEMBL2466315 0.77 KMO (0.46) GRM2KMOCDC7PLK4MAPK13
SCHEMBL2464148 0.77 ABL1 (0.42) GRM2KMOCNR1CDC7PLK4
SCHEMBL2468072 0.75 KMO (0.47) GRM2KMOCDC7PLK4MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed