SCHEMBL9303936

SCHEMBL9303936

N=C(N)Nc1cccc(C(=O)Nc2cccc3cccc(C(=N)N)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.52
SIRT2 Q8IXJ6 2/20 0.48
PLAU P00749 5/20 0.45
F2 P00734 2/20 0.45
PLG P00747 2/20 0.45
PLAT P00750 2/20 0.45
KLKB1 P03952 2/20 0.45
PRSS1 P07477 2/20 0.45
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
CHUK O15111 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44

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
SCHEMBL9303131 0.88 SIRT2 (0.46) SIRT2PLAUF2PLGPLAT
SCHEMBL9304048 0.87 SIRT2 (0.55) PTGESSIRT2PLAUF2PLG
SCHEMBL9303308 0.84 PTGES (0.56) PTGESSIRT2PLK4CHEK1AURKA
SCHEMBL9304320 0.84 PLAU (0.50) PTGESSIRT2PLAUF2PLG
SCHEMBL9304321 0.81 PLAU (0.50) PTGESSIRT2PLAUF2PLG
SCHEMBL9302810 0.81 NPC1 (0.49) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL9303249 0.81 PLAU (0.60) PTGESPLAUF2PLGPLAT
SCHEMBL9303301 0.81 PTGES (0.49) PTGESSIRT2PLAUF2PLG
SCHEMBL9305495 0.80 PLAU (0.54) PTGESPLAUF2PLGPLAT
SCHEMBL9303041 0.79 PLAU (0.61) PLAUF2PLGPLATKLKB1

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-5352704-A Antiviral agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-10-04 US disclosed
EP-0434432-B1 Guanidinobenzene derivatives BANYU PHARMA CO LTD (JP) 1994-05-04 EP disclosed
EP-0434432-A1 Guanidinobenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed