SCHEMBL4990286

SCHEMBL4990286

Cc1nc(C#Cc2ccnc(S(C)(=O)=O)c2)cn1-c1cccc(C#N)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.77
PTGS2 P35354 1/20 0.35

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
SCHEMBL4629672 0.87 GRM5 (1.00) GRM5
SCHEMBL2172448 0.83 GRM5 (0.80) GRM5
SCHEMBL4630084 0.75 GRM5 (1.00) GRM5
SCHEMBL568039 0.73 JAK2 (0.38) GRM5PTGS2
SCHEMBL4630177 0.73 GRM5 (1.00) GRM5
SCHEMBL1023486 0.73 GRM5 (0.64) GRM5
SCHEMBL1020980 0.73 GRM5 (0.67) GRM5
SCHEMBL4630041 0.71 GRM5 (0.75) GRM5
SCHEMBL1023214 0.70 GRM5 (0.60) GRM5
SCHEMBL1022403 0.70 GRM5 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606277-B8 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-15 EP claimed
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP claimed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO claimed