SCHEMBL2667705

SCHEMBL2667705

CCOC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)nc(O[C@H](C)COC)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.63
KCNH2 Q12809 3/20 0.63
MAPK1 P28482 3/20 0.52
HTT P42858 1/20 0.52
PKM P14618 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2667560 0.94 GCK (0.56) GCKKCNH2MAPK1HTTPKM
SCHEMBL2667813 0.92 MAPK1 (0.54) GCKKCNH2MAPK1HTTPKM
SCHEMBL2667537 0.92 GCK (0.54) GCKKCNH2MAPK1HTTPKM
SCHEMBL9071027 0.92 MAPK1 (0.59) GCKKCNH2MAPK1HTTPKM
SCHEMBL2667683 0.92 GCK (0.63) GCKKCNH2
SCHEMBL2667676 0.92 GCK (0.58) GCKKCNH2MAPK1HTTPKM
SCHEMBL9070854 0.91 GCK (0.53) GCKKCNH2MAPK1HTTPKM
SCHEMBL2667584 0.90 MAPK1 (0.54) GCKKCNH2MAPK1HTTALDH1A1
SCHEMBL2667684 0.90 ALDH1A1 (0.65) GCKKCNH2MAPK1HTTPKM
SCHEMBL2667577 0.90 ALDH1A1 (0.67) GCKKCNH2MAPK1HTTPKM

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