SCHEMBL2652181

SCHEMBL2652181

CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(CC(O)CO)cn2)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.77
GCK P35557 17/20 0.56

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
SCHEMBL2644441 1.00 KCNH2 (0.77) KCNH2GCK
SCHEMBL2644807 1.00 KCNH2 (0.77) KCNH2GCK
SCHEMBL2652987 0.92 KCNH2 (0.74) KCNH2GCK
SCHEMBL2645246 0.91 KCNH2 (0.77) KCNH2GCK
SCHEMBL2645248 0.91 KCNH2 (0.77) KCNH2GCK
SCHEMBL2644946 0.90 KCNH2 (0.72) KCNH2GCK
SCHEMBL2644948 0.90 KCNH2 (0.72) KCNH2GCK
SCHEMBL2653342 0.89 KCNH2 (0.75) KCNH2GCK
SCHEMBL2644463 0.88 KCNH2 (0.74) KCNH2GCK
SCHEMBL2644541 0.88 KCNH2 (0.74) KCNH2GCK

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-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP claimed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO claimed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO disclosed