SCHEMBL2564043

SCHEMBL2564043

Nc1nc2c(s1)C(c1ccccn1)Cc1[nH]ncc1-2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.41
KCNH2 Q12809 3/20 0.41
ILK Q13418 2/20 0.36
TGFBR1 P36897 8/20 0.36
MAPK14 Q16539 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL2563052 0.87 GRM4 (0.39) GRM4KCNH2ILK
SCHEMBL367422 0.67 GRM4 (0.64) GRM4KCNH2
SCHEMBL26246309 0.65 ALDH1A1 (0.44) TGFBR1KDM4EALDH1A1LMNAGAA
SCHEMBL366515 0.65 GRM4 (0.60) GRM4KCNH2
SCHEMBL18230269 0.64 TGFBR1 (0.50) TGFBR1KDM4EALDH1A1
SCHEMBL3737029 0.59 TGFBR1 (0.55) TGFBR1KDM4ELMNA
SCHEMBL31361561 0.59 TGFBR1 (0.55) TGFBR1KDM4ELMNA
SCHEMBL18230509 0.59 TGFBR1 (0.45) TGFBR1KDM4E
SCHEMBL4510667 0.59 LMNA (0.56) ILKTGFBR1MAPK14KDM4ELMNA
SCHEMBL26246310 0.58 MAPT (0.52) TGFBR1ALDH1A1LMNAGAA

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