SCHEMBL2658720

SCHEMBL2658720

CC(C)(O)c1ccn2c(-c3cncc(-c4ccc(F)cc4C#N)c3)cnc2c1F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 17/20 0.61
GABRG2 P18507 17/20 0.61
GABRB3 P28472 17/20 0.61
GABRA3 P34903 15/20 0.61
GABRA5 P31644 11/20 0.51
GABRA2 P47869 3/20 0.51
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL2659881 0.91 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659569 0.91 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657954 0.86 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL30139355 0.86 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659281 0.86 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5396493 0.85 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659759 0.83 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5384321 0.82 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2660283 0.82 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658642 0.82 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226926-B2 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2007-06-05 US claimed
EP-1511748-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP claimed
EP-1511748-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP disclosed
EP-1511748-A1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
WO-2003099817-A1 8-FLUORIMIDAZO`1,2-A!PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 WO disclosed