SCHEMBL2654705

SCHEMBL2654705

CCOC(=O)CSc1cnc(NC(=O)C(CC2CCCC2)c2ccc([S+](C)[O-])cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.51
CCNE2 O96020 2/20 0.51
CDK1 P06493 2/20 0.51
CDK4 P11802 2/20 0.51
CCNB1 P14635 2/20 0.51
CCND1 P24385 2/20 0.51
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51
CCNB3 Q8WWL7 2/20 0.51
GCK P35557 17/20 0.46
KCNH2 Q12809 1/20 0.39

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
SCHEMBL883974 0.89 GCK (0.59) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL884075 0.89 GCK (0.59) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL886779 0.82 GCK (0.57) GCK
SCHEMBL886778 0.82 GCK (0.57) GCK
SCHEMBL885426 0.78 GCK (0.63) GCK
SCHEMBL886788 0.78 GCK (0.63) GCK
SCHEMBL884002 0.78 GCK (0.59) GCK
SCHEMBL884001 0.78 GCK (0.59) GCK
SCHEMBL883884 0.76 GCK (0.55) GCK
SCHEMBL883882 0.76 GCK (0.55) GCK

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-1824835-A1 HETEROAROMATIC GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-08-29 EP disclosed
WO-2006058923-A1 HETEROAROMATIC GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2006-06-08 WO disclosed