SCHEMBL9267455

SCHEMBL9267455

Clc1ncnc2cccc(Br)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDPK1 O15530 1/20 0.47
DYRK1A Q13627 1/20 0.37
AXL P30530 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
EGFR P00533 5/20 0.36
PARP1 P09874 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
PRNP P04156 1/20 0.33
CYP1A2 P05177 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
SCHEMBL31113992 1.00 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL8808732 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL17827792 0.78 PDPK1 (0.40) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL18312022 0.76 PI4KA (0.48) PDPK1DYRK1AAXLEGFRBACE1
SCHEMBL3276096 0.76 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL1014181 0.76 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL29461096 0.76 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL14208280 0.76 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DDYRK1A
Hydrochloric Acid SCHEMBL4029810 0.74 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL29936178 0.73 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018021977-A1 GLYCINE METABOLISM MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-01 WO disclosed
US-5387585-A Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia HOFFMANN-LA ROCHE INC. (US) 1995-02-07 US disclosed
EP-0519307-A2 Tetracyclic Imidazodiazepines F. HOFFMANN-LA ROCHE AG (CH) 1992-12-23 EP disclosed