SCHEMBL2213440

SCHEMBL2213440

CC(Oc1ccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2ccon2)cc1)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.38
ALPL P05186 3/20 0.37
ALPI P09923 3/20 0.37
ALPG P10696 3/20 0.37
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL2212577 0.88 GCK (0.49) GCKALPLALPIALPGNPC1
SCHEMBL2213431 0.85 GCK (0.39) GCKALPLALPIALPGRAB9A
SCHEMBL2212703 0.85 ALPL (0.36) GCKALPLALPIALPGNPC1
SCHEMBL2213977 0.83 GCK (0.40) GCKALPLALPIALPGNPC1
SCHEMBL2211540 0.82 GCK (0.42) GCK
SCHEMBL2212536 0.82 GCK (0.52) GCK
SCHEMBL2211348 0.82 GCK (0.59) GCKALPLALPIALPGNPC1
SCHEMBL2213895 0.79 GCK (0.44) GCKNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2642970 0.75 GCK (0.50) GCKL3MBTL1
SCHEMBL2663244 0.74 GCK (0.41) GCKLMNA

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