SCHEMBL2643520

SCHEMBL2643520

c1cc(-c2ccncn2)cc(-n2cnc3cc(-c4ccno4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.38
FGFR1 P11362 7/20 0.38
DHFR P00374 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
THRB P10828 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
SCHEMBL2644075 0.83 GABRA1 (0.52) KDRFGFR1GABRA1GABRG2GABRB3
SCHEMBL2645149 0.82 HTT (0.39) KDRFGFR1DHFRGABRA1GABRG2
SCHEMBL2643926 0.79 KDR (0.38) KDRFGFR1GABRA1GABRG2GABRB3
SCHEMBL1761584 0.78 FGFR1 (0.46) KDRFGFR1GABRA1GABRG2GABRB3
SCHEMBL2648609 0.78 GRM5 (0.52) FGFR1DHFRGABRA1GABRG2GABRB3
SCHEMBL2644392 0.78 FGFR1 (0.53) FGFR1DHFRGABRA1GABRG2GABRB3
SCHEMBL1762123 0.77 FGFR1 (0.45) KDRFGFR1GABRA1GABRG2GABRB3
SCHEMBL1761792 0.77 GABRA1 (0.61) KDRFGFR1GABRA1GABRG2GABRB3
SCHEMBL2643907 0.76 FGFR1 (0.62) FGFR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL2649247 0.75 GABRA1 (0.40) FGFR1DHFRGABRA1GABRG2GABRB3

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 7 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
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US 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