SCHEMBL9070945

SCHEMBL9070945

COC(=O)Cc1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCCC4)cn3)nc(OC(C)C)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.51
PRKAA2 P54646 1/20 0.47
KCNH2 Q12809 3/20 0.42
OPRM1 P35372 1/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 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
SCHEMBL9070907 0.98 GCK (0.53) GCKPRKAA2KCNH2RARARARB
SCHEMBL2667480 0.94 PRKAA2 (0.48) GCKPRKAA2KCNH2RARARARB
SCHEMBL2667977 0.93 GCK (0.46) GCKPRKAA2RARARARBRARG
SCHEMBL2667695 0.91 GCK (0.50) GCKPRKAA2KCNH2
SCHEMBL9070835 0.90 GCK (0.52) GCKPRKAA2KCNH2
SCHEMBL9070947 0.89 GCK (0.53) GCKPRKAA2RARARARBRARG
SCHEMBL2667387 0.87 GCK (0.55) GCKPRKAA2KCNH2RARARARB
SCHEMBL9070813 0.87 GCK (0.55) GCKPRKAA2KCNH2RARARARB
SCHEMBL2667347 0.86 GCK (0.54) GCKPRKAA2KCNH2RARARARB
SCHEMBL9070909 0.85 GCK (0.44) GCKRARARARBRARG

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