SCHEMBL8922770

SCHEMBL8922770

O=c1nnn(-c2ccccn2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45
PIM1 P11309 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45

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
SCHEMBL6081429 0.73 KDM4E (0.42) GAAGSK3AGSK3BSMN1; SMN2KDM4E
SCHEMBL17104893 0.66 RAB9A (0.55) GAAMAPK1SMN1; SMN2KDM4EEP300
SCHEMBL28379997 0.66 SMN1; SMN2 (0.55) GAAMAPK1CHEK1AURKADAPK3
SCHEMBL14446897 0.66 SLC11A2 (0.52) GAAMAPK1CHEK1AURKADAPK3
SCHEMBL7601190 0.66 CHEK1 (0.58) GAAMAPK1CHEK1AURKADAPK3
SCHEMBL565271 0.66 SMN1; SMN2 (0.53) GAAMAPK1CHEK1AURKADAPK3
SCHEMBL8686617 0.64 RAB9A (0.45) GAAMAPK1CHEK1AURKADAPK3
SCHEMBL14041252 0.64 SLC11A2 (0.94) GAAMAPK1SLC11A2KDM4E
SCHEMBL11411739 0.63 GAA (1.00) GAAMAPK1CHEK1AURKADAPK3
SCHEMBL7479419 0.63 ALDH1A1 (0.73) GAASMN1; SMN2KDM4EEP300KAT2B

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
US-5641727-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US claimed
EP-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 EP claimed
CN-1224014-A Pyridyltetrazolinone derivatives BAYER AGROCHEM KK (JP) 1999-07-28 CN disclosed