SCHEMBL5338301

SCHEMBL5338301

O=C(O)c1cc(Br)c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.48
AKT2 P31751 5/20 0.48
CTRC Q99895 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
CDH1 P12830 1/20 0.39
APC P25054 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP4K4 O95819 1/20 0.37

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
SCHEMBL5317129 0.92 AKT1 (0.48) AKT1AKT2CTRCEGLN1CDH1
SCHEMBL5342400 0.90 AKT1 (0.50) AKT1AKT2CTRCEGLN1CDH1
SCHEMBL5343284 0.88 AKT1 (0.53) AKT1AKT2CTRCCDH1APC
SCHEMBL5342475 0.85 AKT1 (0.59) AKT1AKT2
SCHEMBL5343515 0.85 CNR1 (0.48) AKT1AKT2NPC1RAB9A
SCHEMBL5341020 0.82 AKT1 (0.50) AKT1AKT2
SCHEMBL5336859 0.77 CNR1 (0.46) AKT1AKT2NPC1RAB9A
SCHEMBL5340780 0.77 AKT1 (0.59) AKT1AKT2KDM4E
SCHEMBL5318498 0.76 AKT1 (0.48) AKT1AKT2
SCHEMBL5343937 0.75 CDH1 (0.46) AKT1AKT2CDH1APCCTNNB1

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
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