SCHEMBL192859

SCHEMBL192859

Cc1csc(Nc2cc(Oc3cccc4ncccc34)ccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.53
CACNA2D1 P54289 1/20 0.46
KCNN1 Q92952 1/20 0.43
KCNN2 Q9H2S1 1/20 0.43
KCNN3 Q9UGI6 1/20 0.43
TGFBR1 P36897 1/20 0.43
SLC2A1 P11166 1/20 0.43
CCR4 P51679 1/20 0.43
GRM5 P41594 1/20 0.42

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
SCHEMBL190775 0.88 GCK (0.53) GCKKCNN1KCNN2KCNN3SLC2A1
SCHEMBL190731 0.83 GCK (0.45) GCKCACNA2D1CCR4
SCHEMBL190732 0.82 GCK (0.47) GCKKCNN1KCNN2KCNN3CCR4
Hydrochloric Acid SCHEMBL191626 0.82 GCK (0.47) GCKKCNN1KCNN2KCNN3TGFBR1
SCHEMBL190972 0.82 GCK (0.47) GCKKCNN1KCNN2KCNN3TGFBR1
SCHEMBL190435 0.81 GAA (0.56) GCKKCNN1KCNN2KCNN3TGFBR1
SCHEMBL191875 0.81 NPC1 (0.43) CACNA2D1TGFBR1
SCHEMBL190467 0.81 GCK (0.54) GCKKCNN1KCNN2KCNN3SLC2A1
SCHEMBL191828 0.81 GCK (0.54) GCKKCNN1KCNN2KCNN3SLC2A1
SCHEMBL12305690 0.80 GCK (0.47) GCKKCNN1KCNN2KCNN3GRM5

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-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed