SCHEMBL2214461

SCHEMBL2214461

O=C(Nc1nccs1)c1nc(Sn2ccnn2)ccc1Sc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.65
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MGAM O43451 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SI P14410 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL2642383 0.83 GCK (0.48) GCK
SCHEMBL2213982 0.82 GCK (0.63) GCKMEN1NPC1MGAMALDH1A1
SCHEMBL2213370 0.80 GCK (0.73) GCKMEN1NPC1MGAMALDH1A1
SCHEMBL2643024 0.79 GCK (1.00) GCKSMN1; SMN2
SCHEMBL2213443 0.79 GCK (0.71) GCKMEN1NPC1MGAMALDH1A1
SCHEMBL2213619 0.76 GCK (0.72) GCK
SCHEMBL2210526 0.73 GCK (0.67) GCK
SCHEMBL2212679 0.71 GCK (0.75) GCK
SCHEMBL2250207 0.71 GCK (0.59) GCKNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2212557 0.71 GCK (0.73) GCKNPC1RAB9ASMN1; SMN2

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