SCHEMBL2211348

SCHEMBL2211348

CC(Oc1ccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2nccs2)cc1)N(C)C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.59
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2215580 0.88 GCK (0.55) GCKL3MBTL1ALPLALPIALPG
SCHEMBL2642911 0.88 GCK (0.75) GCKLMNANPC1RAB9A
SCHEMBL2212536 0.88 GCK (0.52) GCK
SCHEMBL2213895 0.87 GCK (0.44) GCKNPC1RAB9A
SCHEMBL2208970 0.86 GCK (0.58) GCKL3MBTL1
SCHEMBL2211355 0.86 GCK (0.59) GCKL3MBTL1ALPLALPIALPG
SCHEMBL2211540 0.86 GCK (0.42) GCK
SCHEMBL2215584 0.86 GCK (0.61) GCKL3MBTL1ALPLALPIALPG
SCHEMBL2214421 0.85 GCK (0.59) GCKL3MBTL1
SCHEMBL2212669 0.85 GCK (0.57) GCKL3MBTL1ALPLALPIALPG

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