SCHEMBL2416752

SCHEMBL2416752

COc1cccc(OC)c1CNC(N)=Nc1nc2c(s1)Cc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.45
ATP4B P51164 4/20 0.45
ADORA1 P30542 8/20 0.42
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
LTK P29376 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
LIMK1 P53667 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ALDH1A1 P00352 2/20 0.35
BLM P54132 1/20 0.35
ADORA2A P29274 1/20 0.35
FBP1 P09467 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
Bromide SCHEMBL2378277 0.99 ATP4A (0.47) ATP4AATP4BADORA1CHEK1DAPK3
SCHEMBL2451066 0.78 ADRA2A (0.48) ALDH1A1KDM4EMEN1NPC1MAPT
SCHEMBL2448853 0.78 ATP4A (0.48) ATP4AATP4BALDH1A1ADORA2AMEN1
SCHEMBL2416745 0.77 ADORA1 (0.46) ADORA1ALDH1A1BLMADORA2AKDM4E
Bromide SCHEMBL2379363 0.77 ATP4A (0.48) ATP4AATP4BALDH1A1ADORA2AMEN1
Bromide SCHEMBL2378274 0.77 ADORA1 (0.45) ADORA1ALDH1A1BLMADORA2AKDM4E
SCHEMBL2449269 0.76 ATP4A (0.67) ATP4AATP4BALDH1A1NPC1MAPT
Bromide SCHEMBL2379078 0.76 ATP4A (0.68) ATP4AATP4BALDH1A1NPC1MAPT
SCHEMBL2381429 0.74 ROCK2 (0.40) ALDH1A1MAPTHPGD
SCHEMBL2379242 0.74 ATP4A (0.42) ATP4AATP4BALDH1A1ADORA2AKDM4E

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
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-1716127-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2006-11-02 EP disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 WO disclosed