SCHEMBL8552220

SCHEMBL8552220

N#Cc1cccc2c(-c3ccccc3)nnc(N=C(N)N)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 4/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAD52 P43351 2/20 0.41
MAPT P10636 1/20 0.41
PLAU P00749 8/20 0.38
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CHUK O15111 1/20 0.34
MAP2K1 Q02750 2/20 0.34
CHEK1 O14757 1/20 0.34
ABL1 P00519 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
GRK5 P34947 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
CDK8 P49336 1/20 0.34

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
SCHEMBL8553714 0.89 PLAU (0.37) PLGKMT2AMEN1ALDH1A1MAPT
SCHEMBL8518199 0.80 PLG (0.45) PLGKMT2AMEN1ALDH1A1RAD52
Hydrochloric Acid SCHEMBL8549377 0.80 PLG (0.55) PLGKMT2AMEN1ALDH1A1RAD52
SCHEMBL8374823 0.80 PLAU (0.47) PLGKMT2AMEN1ALDH1A1RAD52
Hydrochloric Acid SCHEMBL8548609 0.79 PLAU (0.44) PLGKMT2AMEN1ALDH1A1RAD52
Hydrochloric Acid SCHEMBL8547382 0.79 PLAU (0.46) PLGKMT2AMEN1ALDH1A1RAD52
Hydrochloric Acid SCHEMBL8547928 0.79 PLG (0.44) PLGKMT2AMEN1ALDH1A1RAD52
SCHEMBL8551931 0.77 PLG (0.53) PLGKMT2AMEN1ALDH1A1RAD52
SCHEMBL8550323 0.77 PLG (0.42) PLGKMT2AMEN1ALDH1A1RAD52
SCHEMBL8551840 0.77 PLG (0.42) PLGKMT2AMEN1ALDH1A1RAD52

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