SCHEMBL7824311

SCHEMBL7824311

NC(N)=NC(=O)c1cccc(-c2ccncn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.43
SLC9A1 P19634 1/20 0.41
ROCK1 Q13464 2/20 0.40
HTR5A P47898 2/20 0.40
ROCK2 O75116 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PRKCG P05129 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MAPK1 P28482 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PRKX P51817 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN2 Q16513 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SGK2 Q9HBY8 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
Hydrochloric Acid SCHEMBL7816742 0.99 ASIC3 (0.43) ASIC3SLC9A1ROCK1HTR5AROCK2
SCHEMBL7815576 0.84 ASIC3 (0.49) ASIC3SLC9A1CYP2D6CYP2C9HTR2B
SCHEMBL1445168 0.84 FYN (0.52) MAPK1GSK3BGRM5FYNHPGDS
Hydrochloric Acid SCHEMBL27403224 0.83 ASIC3 (0.48) ASIC3SLC9A1HTR2BHTR7DRD2
Hydrochloric Acid SCHEMBL7815757 0.83 ASIC3 (0.48) ASIC3SLC9A1HTR2BHTR7DRD2
SCHEMBL30285920 0.79 KMO (0.57) GRM5CAMKK2
SCHEMBL940865 0.79 KMO (0.57) GRM5CAMKK2
SCHEMBL7814937 0.77 KMO (0.63) ASIC3SLC9A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7823972 0.76 KMO (0.61) ASIC3SLC9A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL27404908 0.76 KMO (0.61) ASIC3SLC9A1CYP3A4CYP2C9

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
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed