SCHEMBL2646874

SCHEMBL2646874

c1cncc(-c2cccc(-n3cnc4cc(-n5cccc5)ccc43)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.57
GABRG2 P18507 2/20 0.57
GABRB3 P28472 2/20 0.57
GABRA5 P31644 2/20 0.57
GABRA3 P34903 2/20 0.57
GABRA2 P47869 1/20 0.57
FGFR1 P11362 7/20 0.44
CYP17A1 P05093 1/20 0.42
KDR P35968 1/20 0.40
F9 P00740 2/20 0.40
F10 P00742 2/20 0.40
GRM5 P41594 1/20 0.39
PRKCI P41743 1/20 0.39
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39

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
SCHEMBL2646402 0.91 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2647245 0.89 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2646283 0.84 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2656285 0.84 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2647150 0.84 FGFR1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13045092 0.83 FGFR1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2646371 0.81 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2643332 0.81 FGFR1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652116 0.81 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2646891 0.81 GABRA1 (0.57) 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-0821683-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2006-11-02 EP claimed
JP-3040485-B2 2000-05-15 JP claimed
US-5902813-A MODULATORS OF THE BENZODIAXEPINE RECEPTOR OT THE GAMMA-BUTYRIC ACID(A) RECEPTOR COMPLEX; ANXIOLYTIC, ANTIEPILEPTIC AND -CONVULSANT AGENTS; SLEEP AND MEMORY DISORDERS NEUROSEARCH A/S (DK) 1999-05-11 US claimed
EP-0821683-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP claimed
WO-1996033192-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO claimed
EP-0821683-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2006-11-02 EP disclosed
US-5902813-A MODULATORS OF THE BENZODIAXEPINE RECEPTOR OT THE GAMMA-BUTYRIC ACID(A) RECEPTOR COMPLEX; ANXIOLYTIC, ANTIEPILEPTIC AND -CONVULSANT AGENTS; SLEEP AND MEMORY DISORDERS NEUROSEARCH A/S (DK) 1999-05-11 US disclosed
EP-0821683-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033192-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed