SCHEMBL2667802

SCHEMBL2667802

COC[C@@H](C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(Oc2cccc(F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.50
KCNH2 Q12809 1/20 0.45
MAPK1 P28482 1/20 0.45
GRM5 P41594 2/20 0.42
RARG P13631 1/20 0.41
RAB9A P51151 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SCD O00767 1/20 0.41

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
SCHEMBL2667815 0.92 MAPK1 (0.57) GCKMAPK1SMN1; SMN2
SCHEMBL2667697 0.91 GCK (0.49) GCKKCNH2MAPK1GRM5RAB9A
SCHEMBL2667580 0.91 GCK (0.50) GCKKCNH2GRM5RARGRAB9A
SCHEMBL2667538 0.91 GCK (0.50) GCKKCNH2GRM5RARGRAB9A
SCHEMBL2667564 0.91 GCK (0.53) GCKMAPK1RAB9AKDM4ESMN1; SMN2
SCHEMBL2657219 0.90 GCK (0.62) GCKKCNH2MAPK1GRM5RARG
SCHEMBL9071021 0.88 GCK (0.51) GCKKCNH2MAPK1GRM5RAB9A
SCHEMBL9071061 0.86 GCK (0.54) GCKKCNH2MAPK1GRM5RARG
SCHEMBL2667999 0.85 MAPT (0.49) GCKKCNH2MAPK1GRM5RAB9A
SCHEMBL2668009 0.84 GRM5 (0.48) GCKKCNH2MAPK1GRM5RAB9A

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
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed