SCHEMBL2644075

SCHEMBL2644075

c1cncc(-c2cccc(-n3cnc4cc(-c5ccno5)ccc43)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 1/20 0.52
KDR P35968 3/20 0.41
FGFR1 P11362 8/20 0.40
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
PRKCI P41743 1/20 0.38
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
CYP17A1 P05093 1/20 0.36
GRM5 P41594 1/20 0.36
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL2646102 0.85 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2643520 0.83 KDR (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2647150 0.82 FGFR1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2646371 0.81 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2643926 0.81 KDR (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2643019 0.80 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2656285 0.79 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2646283 0.79 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13045092 0.79 FGFR1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761792 0.79 GABRA1 (0.61) 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 6 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 claimed
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
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
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
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