SCHEMBL3367405

SCHEMBL3367405

Cc1c(N(C)C)ccc2nc(C(=O)O)cn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GAA P10253 2/20 0.37
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 4/20 0.34
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
LMNA P02545 1/20 0.33
ALB P02768 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 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
SCHEMBL3542064 0.82 GAA (0.60) GAAKDM4EGABRA2GABRB2POLB
SCHEMBL3367652 0.82 RAB9A (0.51) GAAALDH1A1LMNAHPGDPOLB
SCHEMBL3340526 0.78 PTGS1 (0.41) PTGS1PTGS2GAAKDM4EALDH1A1
SCHEMBL3369735 0.78 PTGS1 (0.41) PTGS1PTGS2GAAKDM4EALDH1A1
SCHEMBL2086528 0.78 PTGS1 (0.41) PTGS1PTGS2GAAKDM4EALDH1A1
SCHEMBL3628721 0.76 KDM4E (0.51) PTGS1PTGS2GAAKDM4EALDH1A1
SCHEMBL3498219 0.75 SMN1; SMN2 (0.47) GAAKDM4EALDH1A1GABRA2GABRB2
SCHEMBL2485939 0.75 PTGS1 (0.35) PTGS1PTGS2GAAKDM4EALDH1A1
SCHEMBL2485937 0.75 PTGS1 (0.35) PTGS1PTGS2GAAKDM4EALDH1A1
SCHEMBL119926 0.71 GAA (0.66) PTGS1PTGS2GAAKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041133-B1 DERIVATIVES OF IMIDAZO [1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-13 EP disclosed
EP-2041133-A1 DERIVATIVES OF IMIDAZO [1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008003856-A1 DERIVATIVES OF IMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-01-10 WO disclosed