SCHEMBL6922482

SCHEMBL6922482

c1ccc(Nc2ncccc2C2=NCCN2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.54
DHODH Q02127 1/20 0.44
GRM4 Q14833 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL6917821 0.80 NISCH (0.54) NISCH
SCHEMBL4721393 0.77 DHODH (0.58) DHODHGRM4MEN1ALDH1A1GAA
SCHEMBL9579892 0.75 NISCH (0.81) NISCH
SCHEMBL11263510 0.73 NISCH (0.71) NISCHALDH1A1GAAADRA2AADRA2B
SCHEMBL8887144 0.73 NISCH (0.66) NISCH
SCHEMBL25381465 0.71 DHODH (0.51) DHODHGRM4MEN1ALDH1A1GAA
SCHEMBL6920530 0.71 NISCH (0.54) NISCH
SCHEMBL1821476 0.70 DHODH (0.50) DHODHGRM4MEN1ALDH1A1GAA
SCHEMBL9195272 0.70 NISCH (0.53) NISCHALDH1A1MAPT
SCHEMBL1036359 0.69 ADRA2A (0.78) ADRA2AADRA2BADRA2C

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
WO-2004043947-A1 NOVEL PYRIDINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-05-27 WO claimed
WO-2004043947-A1 NOVEL PYRIDINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2004-05-27 WO disclosed