SCHEMBL2657535

SCHEMBL2657535

Cc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)cc3Cl)cc(O[C@@]3(C)CCNC3=O)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 19/20 0.48
KCNH2 Q12809 6/20 0.48
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2656839 0.84 GCK (0.55) GCKKCNH2
SCHEMBL2659314 0.83 GCK (0.55) GCKKCNH2
SCHEMBL2657403 0.78 GCK (0.40) GCKKCNH2
SCHEMBL2658074 0.78 GCK (0.53) GCKKCNH2
SCHEMBL2075079 0.77 GCK (0.50) GCKKCNH2
SCHEMBL2657539 0.77 GCK (0.50) GCKKCNH2
SCHEMBL2658151 0.76 GCK (0.52) GCKKCNH2NPC1RAB9A
SCHEMBL2657794 0.68 GCK (0.46) GCK
SCHEMBL2075229 0.66 GCK (0.52) GCKKCNH2
SCHEMBL2654081 0.66 GCK (0.79) GCKKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086964-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK Astra Zeneca AB (SE) 2009-08-12 EP claimed
WO-2008050101-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK ASTRAZENECA AB (SE) 2008-05-02 WO claimed