SCHEMBL5512633

SCHEMBL5512633

Nc1cnc(-c2ccc(Cl)c(Cl)c2Cl)c(N)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.59
PTPN11 Q06124 18/20 0.43
MAPK1 P28482 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAOA P21397 1/20 0.41
ADRA1A P35348 1/20 0.41
SCN4A P35499 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
PDE3A Q14432 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN3A Q9NY46 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
MAPK3 P27361 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL976695 0.85 SCN2A (0.62) SCN2APTPN11MAPK1CYP2D6MAOA
SCHEMBL2415435 0.78 SCN2A (0.67) SCN2APTPN11SCN10AKCNH2
SCHEMBL2421429 0.77 SCN2A (0.57) SCN2APTPN11MAPK1CYP2D6MAOA
Elpetrigine SCHEMBL978547 0.75 SCN2A (1.00) SCN2APTPN11MAPK1CYP2D6MAOA
SCHEMBL27776395 0.74 AHR (0.41) SCN2APTPN11MAPK1CYP2D6MAOA
SCHEMBL2416231 0.72 SCN2A (0.48) SCN2APTPN11MAPK1CYP2D6MAOA
SCHEMBL2415584 0.72 SCN2A (0.51) SCN2APTPN11MAPK1CYP2D6SCN5A
SCHEMBL2415308 0.72 SCN2A (0.48) SCN2APTPN11MAPK1
SCHEMBL7059600 0.71 MAPK1 (0.59) SCN2APTPN11MAPK1CYP2D6MAOA
SCHEMBL29542922 0.71 MAPK1 (0.59) SCN2APTPN11MAPK1CYP2D6MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853230-A2 DOSAGE FORM AND METHOD FOR SUSTAINED RELEASE OF A SUBSTITUTED PYRAZINE COMPOUND Jazz Pharmaceuticals Inc. (US) 2007-11-14 EP claimed
WO-2006088814-A2 DOSAGE FORM AND METHOD FOR SUSTAINED RELEASE OF A SUBSTITUTED PYRAZINE COMPOUND JAZZ PHARMACEUTICALS (US) 2006-08-24 WO claimed