SCHEMBL5197404

SCHEMBL5197404

CS(=O)(=O)c1nc(C(=O)O)c(Nc2cccnn2)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.37
FFAR2 O15552 1/20 0.34
GOT1 P17174 1/20 0.33
BTK Q06187 2/20 0.32
GRM5 P41594 2/20 0.32
JAK2 O60674 4/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
GCK P35557 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
FAAH O00519 1/20 0.31
JAK3 P52333 1/20 0.31
GAA P10253 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
CYP2C9 P11712 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL2829922 0.82 GRM5 (0.46) LCKFFAR2GOT1BTKGRM5
SCHEMBL2826494 0.65 ALDH1A1 (0.49) LCKBTKGRM5JAK2JAK3
SCHEMBL20956876 0.62 LCK (0.38) LCKGOT1BTKJAK2JAK1
SCHEMBL15931763 0.62 GOT1 (0.50) FFAR2GOT1NAMPT
SCHEMBL2833046 0.62 NTRK1 (0.47) GRM5
SCHEMBL20376364 0.62 KDM4E (0.43) GAACYP2C9
SCHEMBL14691520 0.61 HIPK4 (0.48)
SCHEMBL15348825 0.61 GOT1 (0.52) LCKFFAR2GOT1JAK2JAK1
SCHEMBL20606962 0.60 FFAR2 (0.48) LCKFFAR2GOT1JAK2JAK1
Trifluoroacetic Acid SCHEMBL28053522 0.60 GOT1 (0.43) LCKFFAR2GOT1JAK2JAK1

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-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed