SCHEMBL2036096

SCHEMBL2036096

CS(=O)(=O)c1ccc(C(Cc2cc3cccnc3[nH]2)C2CCCC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.41
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
REN P00797 1/20 0.34

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
SCHEMBL1960494 0.77 GCK (0.63) GCK
SCHEMBL2039421 0.75 GCK (0.39) GCK
SCHEMBL26686565 0.73 GCK (0.43) GCKDRD2DRD4DRD3
SCHEMBL2044900 0.72 GCK (0.37) GCK
SCHEMBL2049518 0.71 MEN1 (0.42) GCKDRD2DRD4DRD3
SCHEMBL2038418 0.70 KMT2A (0.38) GCK
SCHEMBL2054221 0.69 GCK (0.41) GCKDRD2DRD4DRD3
SCHEMBL1959200 0.69 GCK (0.51) GCK
SCHEMBL1962013 0.67 GCK (0.75) GCK
SCHEMBL1960893 0.67 GCK (0.63) 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 claimed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO claimed