SCHEMBL2211540

SCHEMBL2211540

Cc1nsc(NC(=O)c2nc(Sc3nnc[nH]3)ccc2Sc2ccc(OC(C)N(C)C)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.42
KCNH2 Q12809 2/20 0.32

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
SCHEMBL2214422 0.89 GCK (0.43) GCKKCNH2
SCHEMBL2212536 0.88 GCK (0.52) GCK
SCHEMBL2211348 0.86 GCK (0.59) GCK
SCHEMBL2211543 0.86 GCK (0.44) GCK
SCHEMBL2213746 0.85 GCK (0.45) GCKKCNH2
SCHEMBL2213895 0.83 GCK (0.44) GCK
SCHEMBL2213440 0.82 GCK (0.38) GCK
SCHEMBL2211433 0.82 GCK (0.48) GCK
SCHEMBL2642574 0.82 GCK (0.42) GCK
SCHEMBL2212192 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1598349-B1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD KK (JP) 2011-07-27 EP claimed