SCHEMBL8554034

SCHEMBL8554034

NC(N)=Nc1nnc(-c2ccccc2-c2ccccc2)c2cccc(Br)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.50
PLAU P00749 10/20 0.43
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37
MAPK1 P28482 1/20 0.36
SIGMAR1 Q99720 1/20 0.33
PLAT P00750 1/20 0.32
GRM2 Q14416 1/20 0.32
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
LTK P29376 1/20 0.31
KDR P35968 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
LIMK1 P53667 1/20 0.31

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
SCHEMBL8374823 0.90 PLAU (0.47) PLGPLAUALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8547382 0.88 PLAU (0.46) PLGPLAUALDH1A1MEN1KMT2A
SCHEMBL8549276 0.85 PLAU (0.43) PLGPLAUKMT2APLAT
SCHEMBL8372792 0.85 PLAU (0.43) PLGPLAUALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8551595 0.84 PLAU (0.42) PLGPLAUALDH1A1MEN1KMT2A
SCHEMBL8552274 0.82 PLAU (0.40) PLGPLAU
Hydrochloric Acid SCHEMBL8549377 0.82 PLG (0.55) PLGPLAUALDH1A1MEN1KMT2A
SCHEMBL8554002 0.79 PLAU (0.44) PLGPLAUALDH1A1MEN1KMT2A
SCHEMBL8549556 0.79 PLAU (0.44) PLGPLAUALDH1A1MEN1KMT2A
SCHEMBL8371541 0.77 PLAU (0.42) PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed