SCHEMBL4067654

SCHEMBL4067654

Cc1cccc(-n2cc(-c3ccccn3)cc(-c3ccccc3C#N)c2=O)c1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.62
GRIA3 P42263 1/20 0.62
PDE4D Q08499 1/20 0.62
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CDC7 O00311 1/20 0.35
CHEK2 O96017 1/20 0.34
MAPK14 Q16539 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CAPN1 P07384 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL30477201 0.88 GRIA1 (0.73) GRIA1GRIA3PDE4DADORA2AADORA1
SCHEMBL1884996 0.84 GRIA1 (0.79) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL4072454 0.81 GRIA1 (0.66) GRIA1GRIA3PDE4DADORA2AADORA1
SCHEMBL1880152 0.80 GRIA1 (0.70) GRIA1GRIA3PDE4DLMNAHPGD
SCHEMBL14889214 0.80 GRIA1 (0.73) GRIA1GRIA3PDE4DADORA2AADORA1
SCHEMBL1882807 0.79 GRIA1 (0.69) GRIA1GRIA3PDE4DMEN1KMT2A
SCHEMBL1883400 0.79 GRIA1 (0.69) GRIA1GRIA3PDE4DADORA2AADORA1
SCHEMBL1884155 0.79 GRIA1 (0.69) GRIA1GRIA3PDE4DMEN1LMNA
SCHEMBL1879825 0.79 GRIA1 (0.68) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL1881660 0.78 GRIA1 (0.70) GRIA1GRIA3PDE4DGABRA1GABRG2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300396-B1 1,2-DIHYDROPYRIDINE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-01-14 EP disclosed