SCHEMBL7828198

SCHEMBL7828198

Nc1ncc(-c2cccc(-n3cnc4cc(-c5ccoc5)ccc43)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.43
FGFR1 P11362 7/20 0.42
KDR P35968 3/20 0.42
MAP4K4 O95819 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
PLK1 P53350 1/20 0.37
ALOX5AP P20292 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7819821 0.91 KDR (0.49) NT5EFGFR1KDRGABRA1GABRG2
SCHEMBL2643652 0.88 NT5E (0.44) NT5EFGFR1KDRGABRA1GABRG2
SCHEMBL2643592 0.86 KDR (0.42) NT5EFGFR1KDRGABRA1GABRG2
SCHEMBL2646371 0.84 GABRA1 (0.53) NT5EFGFR1KDRGABRA1GABRG2
SCHEMBL7819811 0.83 FGFR1 (0.41) FGFR1KDRMAP4K4GABRA1GABRG2
SCHEMBL7468883 0.81 NT5E (0.60) NT5EFGFR1KDRALDH1A1
SCHEMBL2643064 0.81 KDR (0.45) NT5EFGFR1KDRALDH1A1HTT
SCHEMBL2644846 0.81 KDR (0.45) NT5EFGFR1KDRALDH1A1
SCHEMBL7830383 0.81 KDR (0.45) NT5EFGFR1KDRALDH1A1
SCHEMBL2643150 0.80 KDR (0.40) NT5EFGFR1KDRGABRA1GABRG2

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
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 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