SCHEMBL9070858

SCHEMBL9070858

C=C(O)Cc1csc(NC(=O)c2cc(Oc3cc(F)cc(Cl)c3)nc(O[C@H](C)COC)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.49
KCNH2 Q12809 1/20 0.44
GRM5 P41594 4/20 0.43
RARG P13631 1/20 0.42
CYP3A4 P08684 2/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9071061 0.94 GCK (0.54) GCKKCNH2GRM5RARGCYP3A4
SCHEMBL9070855 0.91 MAPK1 (0.51) GCKKCNH2CYP3A4MAPK1HTT
SCHEMBL9071045 0.85 CPT1A (0.43) GRM5CYP3A4DRD3SLC6A3MAPK1
SCHEMBL2667799 0.85 MAPK1 (0.55) GCKKCNH2CYP3A4MAPK1HTT
SCHEMBL9071064 0.84 GCK (0.70) GCKKCNH2RARG
SCHEMBL2667538 0.83 GCK (0.50) GCKKCNH2GRM5RARGRAB9A
SCHEMBL2667580 0.83 GCK (0.50) GCKKCNH2GRM5RARGRAB9A
SCHEMBL2667825 0.83 GRM5 (0.58) GCKGRM5RARGCYP3A4DRD3
SCHEMBL2667802 0.83 GCK (0.50) GCKKCNH2GRM5RARGRAB9A
SCHEMBL2667828 0.82 GCK (0.48) GCKKCNH2GRM5MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed