SCHEMBL1723258

SCHEMBL1723258

Cc1cnc(NC(=O)C(C)n2nnc(S(C)(=O)=O)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.40
IDO1 P14902 2/20 0.36
NOTUM Q6P988 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2198561 0.80 GCK (0.60) GCKKCNH2
SCHEMBL2198553 0.80 GCK (0.60) GCKKCNH2
SCHEMBL1723302 0.73 GCK (0.45) GCKIDO1NOTUMKCNH2SMN1; SMN2
SCHEMBL1722766 0.73 GCK (0.41) GCKIDO1MAPT
SCHEMBL26764538 0.70 NOTUM (0.46) IDO1NOTUMMAPTCYP2C19LMNA
SCHEMBL839388 0.70 NOTUM (0.43) GCKIDO1NOTUMPOLBMAPT
SCHEMBL839389 0.70 NOTUM (0.43) GCKIDO1NOTUMPOLBMAPT
SCHEMBL18214838 0.69 NOTUM (0.44) GCKIDO1NOTUMPOLBMAPT
SCHEMBL2199269 0.69 GCK (0.63) GCK
SCHEMBL2199261 0.69 GCK (0.63) 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-2344458-A1 HETEROARYLS AMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATORS Pfizer Inc. (US) 2011-07-20 EP disclosed
WO-2010029461-A1 HETEROARYLS AMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATORS PFIZER INC. (US) 2010-03-18 WO disclosed