SCHEMBL1733053

SCHEMBL1733053

O=C(O)Oc1cn2cc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.39
NR4A2 P43354 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A3 P47895 4/20 0.37
ALDH1A1 P00352 2/20 0.37
ALDH1A2 O94788 1/20 0.36
MAP3K5 Q99683 1/20 0.35
SIRT2 Q8IXJ6 4/20 0.35
SLC2A1 P11166 1/20 0.33
KCNH2 Q12809 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL15419054 0.87 SIRT2 (0.37) ENPP2NR4A2CYP2C9ALDH1A3ALDH1A1
SCHEMBL1733052 0.83 NR4A2 (0.47) ENPP2NR4A2CYP2C9EGLN1
SCHEMBL1728545 0.80 NR4A2 (0.47) ENPP2NR4A2CYP2C9ALDH1A3ALDH1A1
SCHEMBL3770038 0.79 KDM4E (0.49) NR4A2CYP2C9ALDH1A1EGLN1
SCHEMBL3775596 0.78 NR4A2 (0.66) NR4A2CYP2C9EGLN1
SCHEMBL1733971 0.78 NR4A2 (0.59) NR4A2CYP2C9ALDH1A3ALDH1A1ALDH1A2
SCHEMBL1733982 0.73 NR4A2 (0.48) NR4A2CYP2C9EGLN1
SCHEMBL14496825 0.72 ENPP2 (0.47) ENPP2ALDH1A1
SCHEMBL1733303 0.72 ALDH1A1 (0.38) NR4A2CYP2C9ALDH1A3ALDH1A1ALDH1A2
SCHEMBL3825009 0.71 ENPP2 (0.56) ENPP2CYP2C9ALDH1A1SIRT2

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
EP-2225240-B1 Derivatives of 6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2014-01-22 EP claimed
EP-2225243-B1 Derivatives of N-heterocyclic-6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2011-11-16 EP claimed