Sugi Predict

Sugi Predict / Compounds / SCHEMBL369335

SCHEMBL369335

SCHEMBL369335

Cc1sc(Nc2cccc(C#N)n2)nc1-c1cn[nH]c1.Cc1sc(Nc2ncccc2C#N)nc1-c1cn[nH]c1.c1ccc(Nc2nc(-c3c[nH]nc3-c3ccco3)cs2)nc1.c1ccc(Nc2nc(-c3cn[nH]c3)c(N3CCCCC3)s2)nc1.c1ccc(Nc2nc(-c3cn[nH]c3)c(N3CCOCC3)s2)nc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 4/20 0.40
▸ KCNH2 Q12809 1/20 0.35
▸ TRPV4 Q9HBA0 2/20 0.33

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
SCHEMBL371256 0.82 GRM4 (0.59) GRM4KCNH2TRPV4
SCHEMBL369428 0.70 GRM4 (0.62) GRM4KCNH2
SCHEMBL369462 0.68 GRM4 (0.53) GRM4KCNH2TRPV4
SCHEMBL369153 0.68 GRM4 (0.65) GRM4KCNH2
SCHEMBL370857 0.68 GRM4 (0.66) GRM4KCNH2
SCHEMBL367293 0.68 GRM4 (0.63) GRM4KCNH2TRPV4
SCHEMBL367907 0.66 GRM4 (0.65) GRM4KCNH2TRPV4
SCHEMBL370821 0.65 GRM4 (0.57) GRM4KCNH2TRPV4
SCHEMBL369152 0.63 GRM4 (1.00) GRM4KCNH2TRPV4
SCHEMBL370843 0.63 GRM4 (0.54) GRM4KCNH2

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-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 — — EP claimed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 — — WO claimed