SCHEMBL6934207

SCHEMBL6934207

CC(=O)c1cc(NC(=N)N)cc(C(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.48
AURKA O14965 2/20 0.48
CHUK O15111 2/20 0.48
DAPK3 O43293 2/20 0.48
JAK2 O60674 2/20 0.48
ROCK2 O75116 2/20 0.48
PAK4 O96013 2/20 0.48
CHEK2 O96017 2/20 0.48
CDK1 P06493 2/20 0.48
PIM1 P11309 2/20 0.48
RPS6KB1 P23443 2/20 0.48
CDK2 P24941 2/20 0.48
MARK3 P27448 2/20 0.48
AKT1 P31749 2/20 0.48
AKT2 P31751 2/20 0.48
MAPKAPK2 P49137 2/20 0.48
RPS6KA3 P51812 2/20 0.48
NEK2 P51955 2/20 0.48
JAK3 P52333 2/20 0.48
LIMK1 P53667 2/20 0.48

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
SCHEMBL6934470 0.85 CHEK1 (0.43) CHEK1AURKACHUKDAPK3JAK2
Hydrochloric Acid SCHEMBL3499092 0.84 CHEK1 (0.43) CHEK1AURKACHUKDAPK3JAK2
SCHEMBL7047330 0.83 FURIN (0.46) CHEK1AURKACHUKDAPK3JAK2
SCHEMBL6930688 0.83 KMT2A (0.62) MEN1KMT2ATDP1POLBALDH1A1
SCHEMBL14747833 0.82 L3MBTL1 (0.53) CHEK1AURKACHUKDAPK3JAK2
SCHEMBL6931409 0.80 MAPT (0.56) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL5973957 0.79 MEN1 (0.60) MEN1KMT2ACA5APOLBALDH1A1
SCHEMBL2000342 0.78 MEN1 (0.49) MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL8886794 0.76 MEN1 (0.47) MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5973857 0.76 CHEK1 (0.64) CHEK1AURKACHUKDAPK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865434-B1 COMPOUNDS AND THEIR USE TO TREAT INFECTIOUS DISEASES PICOWER INST MED RES (US) 2003-12-17 EP claimed
EP-0865434-B1 COMPOUNDS AND THEIR USE TO TREAT INFECTIOUS DISEASES PICOWER INST MED RES (US) 2003-12-17 EP disclosed
CN-1098070-C Guanylhydrazones for treating inflammatory conditions PICOWER INST MED RES (US) 2003-01-08 CN disclosed
EP-0746312-A4 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS PICOWER INST MED RES (US) 1999-05-26 EP disclosed
CN-1144480-A Guanylhydrazones for treating inflammatory conditions PICOWER INST MED RES (US) 1997-03-05 CN disclosed
EP-0746312-A1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1996-12-11 EP disclosed
WO-1995019767-A1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1995-07-27 WO disclosed