SCHEMBL5267778

SCHEMBL5267778

C#CCOC(=O)NCc1c(-c2ccc(C)cc2)nc2ccc(Cl)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
GABRA2 P47869 1/20 0.36
KCNH2 Q12809 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NTRK1 P04629 1/20 0.36
AGPAT2 O15120 2/20 0.35

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
SCHEMBL5273077 0.89 ALDH1A1 (0.42) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL5268584 0.87 GABRA1 (0.41) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL5269906 0.85 ALDH1A1 (0.41) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL5275273 0.85 GABRA1 (0.37) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL5272481 0.85 LMNA (0.37) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL5268891 0.84 KDM4E (0.41) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL5272397 0.83 SMN1; SMN2 (0.42) NTRK1SLC2A2NPC1RAB9A
SCHEMBL4253107 0.83 GABRA1 (0.53) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL5268657 0.81 FAAH (0.43) KDM4EHPGDHSD17B10NTRK1ALDH1A1
SCHEMBL5270748 0.81 NTRK1 (0.41) GABRA1GABRB2KDM4ELMNAALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845098-A1 Imidazo[1,2-b]pyridazines, their processes of preparation and their use as GABA receptor ligands FERRER INTERNACIONAL, S.A. (ES) 2007-10-17 EP claimed
WO-2007110438-A1 IMIDAZO [1,2 -B] PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INTERNACIONAL, S.A. (ES) 2007-10-04 WO claimed
EP-1845098-A1 Imidazo[1,2-b]pyridazines, their processes of preparation and their use as GABA receptor ligands FERRER INTERNACIONAL, S.A. (ES) 2007-10-17 EP disclosed
WO-2007110438-A1 IMIDAZO [1,2 -B] PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INTERNACIONAL, S.A. (ES) 2007-10-04 WO disclosed