SCHEMBL2563052

SCHEMBL2563052

Nc1nc2c(s1)C(c1ncccn1)Cc1[nH]ncc1-2

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 11/20 0.39
KCNH2 Q12809 3/20 0.37
ILK Q13418 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
SCHEMBL2564043 0.87 GRM4 (0.41) GRM4KCNH2ILK
SCHEMBL371068 0.76 GRM4 (0.67) GRM4KCNH2
SCHEMBL366515 0.63 GRM4 (0.60) GRM4KCNH2
SCHEMBL367422 0.62 GRM4 (0.64) GRM4KCNH2
SCHEMBL371066 0.61 GRM4 (0.55) GRM4KCNH2
SCHEMBL6837098 0.56 GRM4 (0.83) GRM4KCNH2
SCHEMBL366686 0.56 GRM4 (1.00) GRM4KCNH2
SCHEMBL18230269 0.55 TGFBR1 (0.50)
SCHEMBL6475329 0.53 GRM4 (0.49) GRM4KCNH2
SCHEMBL13516355 0.52 LMNA (0.47) ILK

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-2382219-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2011-11-02 EP disclosed