SCHEMBL2041256

SCHEMBL2041256

CS(=O)(=O)c1ccc(C(CC2CCCC2)c2cc3c[c]cnc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.57
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL1962013 0.84 GCK (0.75) GCK
SCHEMBL1960871 0.83 GCK (0.61) GCK
SCHEMBL2199152 0.83 GCK (0.73) GCK
SCHEMBL1958744 0.82 GCK (0.60) GCKPTGS2PTGS1
Hydrochloric Acid SCHEMBL1962614 0.82 GCK (0.60) GCKMAPK8MAPK9MAPK10PTGS2
SCHEMBL1960910 0.82 GCK (0.65) GCK
SCHEMBL1958746 0.82 GCK (0.60) GCKPTGS2PTGS1
SCHEMBL1960967 0.82 GCK (0.57) GCKMAPK8MAPK9MAPK10
SCHEMBL1960966 0.82 GCK (0.57) GCKMAPK8MAPK9MAPK10
SCHEMBL1962067 0.82 GCK (0.59) GCK

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-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed