SCHEMBL5320311

SCHEMBL5320311

O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)n2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.54
AKT2 P31751 11/20 0.54
DHODH Q02127 1/20 0.44
CDH1 P12830 1/20 0.44
APC P25054 1/20 0.44
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
GABRD O14764 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA4 P48169 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 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
SCHEMBL5348158 0.94 AKT1 (0.60) AKT1AKT2CDH1APCCTNNB1
SCHEMBL5489046 0.89 AKT1 (0.46) AKT1AKT2DHODHCDH1APC
SCHEMBL5347759 0.85 AKT1 (0.52) AKT1AKT2DHODHSLC2A1
SCHEMBL5341132 0.85 CDH1 (0.48) AKT1AKT2DHODHCDH1APC
SCHEMBL5338205 0.84 CNR1 (0.57) AKT1AKT2GABRDGABRB1GABRA4
SCHEMBL5347257 0.84 CNR1 (0.57) AKT1AKT2GABRDGABRB1GABRA4
SCHEMBL5346688 0.83 SLC2A1 (0.59) AKT1AKT2SLC2A1
SCHEMBL5341345 0.83 SLC2A1 (0.59) AKT1AKT2SLC2A1
SCHEMBL3498373 0.82 CDH1 (0.50) AKT1AKT2CDH1APCCTNNB1
SCHEMBL3498796 0.80 CYP1A2 (0.49) AKT1AKT2DHODHCDH1APC

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