SCHEMBL2643675

SCHEMBL2643675

N#Cc1ccc2c(c1)ncn2-c1cccc(-c2nccs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.48
GABRG2 P18507 8/20 0.48
GABRB3 P28472 8/20 0.48
GABRA5 P31644 8/20 0.48
GABRA3 P34903 8/20 0.48
GABRP O00591 7/20 0.48
GABRD O14764 7/20 0.48
GABRB1 P18505 7/20 0.48
GABRA2 P47869 7/20 0.48
GABRB2 P47870 7/20 0.48
GABRA4 P48169 7/20 0.48
GABRE P78334 7/20 0.48
GABRA6 Q16445 7/20 0.48
GABRG1 Q8N1C3 7/20 0.48
GABRG3 Q99928 7/20 0.48
GABRQ Q9UN88 7/20 0.48
DAPK3 O43293 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKACA P17612 1/20 0.38
LTK P29376 1/20 0.38

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
SCHEMBL2643591 0.83 FGFR1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2650148 0.82 CLK4 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652183 0.80 LOXL2 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2644317 0.80 FGFR1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2655366 0.80 PDPK1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652244 0.80 ADRB2 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2643840 0.80 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762018 0.79 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761933 0.79 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2655035 0.79 HPGD (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP disclosed
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 EP disclosed
EP-0821682-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA-A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2000-07-19 EP disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
US-5922725-A Benzimidazole compounds and their use as modulators of the GABAA receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
EP-0821682-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033191-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed