SCHEMBL2215580

SCHEMBL2215580

CC(c1ccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2nccs2)cc1)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.55
L3MBTL1 Q9Y468 2/20 0.42
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37

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
SCHEMBL2208970 0.92 GCK (0.58) GCKL3MBTL1
SCHEMBL2214421 0.89 GCK (0.59) GCKL3MBTL1
SCHEMBL2211348 0.88 GCK (0.59) GCKL3MBTL1ALPLALPIALPG
SCHEMBL12514253 0.88 GCK (0.57) GCKL3MBTL1ALPLALPIALPG
SCHEMBL2212669 0.87 GCK (0.57) GCKL3MBTL1ALPLALPIALPG
SCHEMBL2210696 0.86 GCK (0.56) GCKL3MBTL1ALPLALPIALPG
SCHEMBL2213345 0.86 GCK (0.59) GCKL3MBTL1
SCHEMBL2213370 0.86 GCK (0.73) GCKL3MBTL1
SCHEMBL2212557 0.86 GCK (0.73) GCKL3MBTL1ALPLALPIALPG
SCHEMBL2208913 0.86 GCK (0.62) GCKL3MBTL1

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