SCHEMBL5458903

SCHEMBL5458903

O=C(O)c1cc(Br)cn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 4/20 0.48
CNR1 P21554 1/20 0.40
AKT1 P31749 4/20 0.38
KMT2A Q03164 1/20 0.37
FTO Q9C0B1 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
AHR P35869 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSD A5PKW4 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5443619 0.85 AKT2 (0.52) AKT2AKT1
SCHEMBL5458454 0.85 TP53 (0.44) AKT2AKT1KMT2ARAB9ANPC1
SCHEMBL5317129 0.83 AKT1 (0.48) AKT2CNR1AKT1KMT2ARAB9A
SCHEMBL5335616 0.81 AKT1 (0.45) AKT2AKT1RAB9ANPC1MAPT
SCHEMBL5341397 0.81 AKT1 (0.45) AKT2AKT1RAB9ANPC1MAPT
SCHEMBL5340360 0.79 AKT1 (0.46) AKT2AKT1RAB9ANPC1MAPT
SCHEMBL5338301 0.74 AKT1 (0.48) AKT2AKT1RAB9ANPC1SMN1; SMN2
SCHEMBL5335061 0.74 AKT1 (0.42) AKT2AKT1RAB9ANPC1MAPT
SCHEMBL5341020 0.74 AKT1 (0.50) AKT2CNR1AKT1
SCHEMBL5336859 0.73 CNR1 (0.46) AKT2CNR1AKT1RAB9ANPC1

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