SCHEMBL2828459

SCHEMBL2828459

CCNS(=O)(=O)c1cccc(Nc2sc(C)nc2OC(=O)Nc2ccc(F)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.46
KIT P10721 1/20 0.45
TNNI3K Q59H18 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL2828925 0.89 GRM5 (0.49) GRM5TNNI3KCCNT1CDK1CCNB1
SCHEMBL2829947 0.88 GRM5 (0.49) GRM5CCNT1CDK1CCNB1CCNA2
SCHEMBL2829970 0.88 GRM5 (0.46) GRM5CDK1CDK2LMNAMAPT
SCHEMBL2830981 0.81 GRM5 (0.50) GRM5JAK2NPC1RAB9AL3MBTL1
SCHEMBL2830236 0.79 GRM5 (0.71) GRM5JAK2NAMPT
SCHEMBL2829440 0.79 GRM5 (0.51) GRM5MAPK1
SCHEMBL2832204 0.78 GRM5 (0.56) GRM5JAK2
SCHEMBL2826336 0.78 GRM5 (0.70) GRM5SMN1; SMN2NPC1RAB9A
SCHEMBL2832138 0.78 GRM5 (0.56) GRM5SMN1; SMN2JAK2NPC1RAB9A
SCHEMBL2829041 0.76 GRM5 (0.54) GRM5

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
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed