SCHEMBL5340360

SCHEMBL5340360

O=C(O)c1cc(Cl)cn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.46
AKT2 P31751 5/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
AHR P35869 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSPO P30536 2/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGS2 P35354 1/20 0.42
CDH1 P12830 1/20 0.42
APC P25054 1/20 0.42
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42

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
SCHEMBL5335061 0.94 AKT1 (0.42) AKT1AKT2NPC1MAPTAHR
SCHEMBL5341397 0.94 AKT1 (0.45) AKT1AKT2NPC1MAPTAHR
SCHEMBL5335616 0.94 AKT1 (0.45) AKT1AKT2NPC1MAPTAHR
SCHEMBL5341242 0.91 AKT1 (0.42) AKT1AKT2NPC1MAPTAHR
SCHEMBL5443619 0.86 AKT2 (0.52) AKT1AKT2PTGS2CDH1APC
SCHEMBL5333928 0.82 CNR1 (0.58) AKT1AKT2MAPTTSPOGMNN
SCHEMBL5337928 0.81 AKT1 (0.52) AKT1AKT2TSPO
SCHEMBL5337475 0.81 CNR1 (0.50) MAPTLMNA
SCHEMBL5458903 0.79 AKT2 (0.48) AKT1AKT2NPC1MAPTAHR
SCHEMBL5478849 0.79 AKT1 (0.55) AKT1AKT2LMNA

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-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO claimed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed