SCHEMBL1573565

SCHEMBL1573565

O=[C]c1ccc(Cl)nc1NCc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
JAK2 O60674 1/20 0.44
IGF1R P08069 1/20 0.44
PIM1 P11309 1/20 0.44
SRC P12931 1/20 0.44
CSNK2A2 P19784 1/20 0.44
KCNA5 P22460 1/20 0.44
JAK1 P23458 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
TYK2 P29597 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
MAP3K8 P41279 1/20 0.44
CSNK1A1 P48729 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL1573567 0.81 KDM4E (0.47) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL3332845 0.77 SORT1 (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL3332328 0.76 HPGD (0.49) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL5301989 0.76 MAPT (0.55) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL3976219 0.72 MAOA (0.54) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL9849594 0.70 LMNA (0.49) MAOAMAOBKDM4EALDH1A1KCNA5
SCHEMBL3556495 0.70 MAOA (0.56) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL3396367 0.69 PLAU (0.53) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL16564358 0.69 HTR2B (0.38) KDM4EPIM1CDK2GSK3BCDK5
SCHEMBL1310429 0.68 MAOA (0.58) MAOAMAOBKDM4EALDH1A1HPGD

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-2158201-B1 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2011-04-13 EP disclosed
EP-2158201-A2 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-03-03 EP disclosed
WO-2009007535-A2 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed