SCHEMBL2214422

SCHEMBL2214422

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

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.43
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
SCHEMBL2211540 0.89 GCK (0.42) GCKKCNH2
SCHEMBL2213074 0.89 GCK (0.54) GCK
SCHEMBL2211065 0.85 GCK (0.44) GCK
SCHEMBL2663240 0.84 GCK (0.44) GCK
SCHEMBL2663211 0.82 GCK (0.43) GCK
SCHEMBL2210677 0.81 GCK (0.60) GCK
SCHEMBL2212536 0.76 GCK (0.52) GCK
SCHEMBL2211348 0.75 GCK (0.59) GCK
SCHEMBL2212685 0.75 GCK (0.54) GCK
SCHEMBL2210636 0.74 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