SCHEMBL1733882

SCHEMBL1733882

O=C(O)Oc1cn2cc(-c3cc[nH]c3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
ALDH1A3 P47895 7/20 0.38
ALDH1A1 P00352 4/20 0.38
ALDH1A2 O94788 1/20 0.36
EGLN1 Q9GZT9 8/20 0.36
MAP3K5 Q99683 2/20 0.34
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32

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
SCHEMBL1733988 0.82 MAP3K5 (0.51) ALDH1A3ALDH1A1ALDH1A2EGLN1MAP3K5
SCHEMBL1733880 0.80 PTGS1 (0.48) LRRK2ALDH1A3ALDH1A1ALDH1A2EGLN1
SCHEMBL1733303 0.79 ALDH1A1 (0.38) ALDH1A3ALDH1A1ALDH1A2EGLN1SLC2A1
Hydrochloric Acid SCHEMBL3769547 0.78 PTGS1 (0.47) LRRK2ALDH1A3ALDH1A1ALDH1A2EGLN1
SCHEMBL15418882 0.78 ALDH1A1 (0.37) ALDH1A3ALDH1A1ALDH1A2EGLN1MAP3K5
SCHEMBL1733932 0.76 MAP3K5 (0.49) ALDH1A3ALDH1A1ALDH1A2EGLN1MAP3K5
SCHEMBL1733339 0.76 ALDH1A3 (0.38) ALDH1A3ALDH1A1ALDH1A2EGLN1MAP3K5
SCHEMBL15418924 0.75 ALDH1A1 (0.37) ALDH1A3ALDH1A1ALDH1A2EGLN1MAP3K5
SCHEMBL1728464 0.74 EGLN1 (0.47) LRRK2ALDH1A3ALDH1A1ALDH1A2EGLN1
SCHEMBL1735826 0.73 ADORA2A (0.59) ALDH1A3ALDH1A1ALDH1A2EGLN1KDM4E

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