SCHEMBL1733971

SCHEMBL1733971

O=C(O)Oc1cn2cc(-c3ccccn3)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.59
CYP2C9 P11712 1/20 0.59
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 2/20 0.42
ALDH1A3 P47895 2/20 0.42
ALDH1A2 O94788 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40

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
SCHEMBL15418891 0.83 NR4A2 (0.50) NR4A2CYP2C9MCHR1ALDH1A1
SCHEMBL1733130 0.80 NR4A2 (0.73) NR4A2CYP2C9MCHR1EGLN1
SCHEMBL1733303 0.78 ALDH1A1 (0.38) NR4A2CYP2C9ALDH1A1ALDH1A3ALDH1A2
SCHEMBL1728471 0.78 NR4A2 (0.70) NR4A2CYP2C9MCHR1EGLN1
SCHEMBL1733053 0.78 ENPP2 (0.39) NR4A2CYP2C9ALDH1A1ALDH1A3ALDH1A2
Hydrochloric Acid SCHEMBL3777031 0.77 NR4A2 (0.69) NR4A2CYP2C9MCHR1EGLN1
SCHEMBL15418882 0.77 ALDH1A1 (0.37) NR4A2CYP2C9ALDH1A1ALDH1A3ALDH1A2
Hydrochloric Acid SCHEMBL3766428 0.77 NR4A2 (0.69) NR4A2CYP2C9MCHR1EGLN1
SCHEMBL1733988 0.75 MAP3K5 (0.51) ALDH1A1ALDH1A3ALDH1A2EGLN1
SCHEMBL1735826 0.74 ADORA2A (0.59) NR4A2ALDH1A1ALDH1A3ALDH1A2EGLN1

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