SCHEMBL6800940

SCHEMBL6800940

c1ccc(-c2cnc3c(c2)ncn3-c2cccc(-c3cccnc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.54
KDR P35968 3/20 0.47
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
CYP2A6 P11509 1/20 0.45
GRM5 P41594 1/20 0.42
FGFR1 P11362 1/20 0.42
AKT1 P31749 2/20 0.40
AKT2 P31751 2/20 0.40
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
MEN1 O00255 1/20 0.39
PSIP1 O75475 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
SCHEMBL6799283 0.86 NT5E (0.47) GAKKDRGABRA1GABRG2GABRB3
SCHEMBL6801677 0.85 GABRG2 (0.45) GAKKDRGABRA1GABRG2GABRB3
SCHEMBL2641937 0.80 GABRP (0.46) GAKGABRA1GABRG2GABRB3GABRA5
SCHEMBL13045092 0.79 FGFR1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2647270 0.73 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2641867 0.73 PDE10A (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2646283 0.72 GABRA1 (0.58) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2656285 0.72 GABRA1 (0.58) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2647150 0.72 FGFR1 (0.60) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2646141 0.72 GABRA1 (0.57) KDRGABRA1GABRG2GABRB3GABRA5

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
US-6723735-B1 TREATMENT OR PREVENTION OF ANXIETY MERCK SHARP & DOHME LTD. 2004-04-20 US claimed
EP-1214319-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-11-26 EP claimed
US-6723735-B1 TREATMENT OR PREVENTION OF ANXIETY MERCK SHARP & DOHME LTD. 2004-04-20 US disclosed
EP-1214319-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-11-26 EP disclosed
EP-1214319-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS Merck Sharp & Dohme Limited (GB) 2002-06-19 EP disclosed
WO-2001018000-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-03-15 WO disclosed