SCHEMBL9302840

SCHEMBL9302840

N=C(N)Nc1cccc(C(=O)Nc2cc(C(=N)N)c3ccccc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.51
PLAU P00749 5/20 0.48
PLG P00747 3/20 0.48
PLAT P00750 3/20 0.48
F2 P00734 2/20 0.48
KLKB1 P03952 2/20 0.48
KLK1 P06870 2/20 0.48
PRSS1 P07477 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
CHUK O15111 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
PAK4 O96013 1/20 0.46

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
SCHEMBL9303301 0.89 PTGES (0.49) PTGESPLAUPLGPLATF2
SCHEMBL9303759 0.88 PLAU (0.50) PLAUPLGPLATF2KLKB1
SCHEMBL9303515 0.83 PTGES (0.48) PTGESPLAUPLGPLATF2
SCHEMBL9304321 0.83 PLAU (0.50) PTGESPLAUPLGPLATF2
SCHEMBL9304163 0.81 PTGES (0.54) PTGESPLAUPLGPLATF2
SCHEMBL9302832 0.81 RXFP1 (0.50) PTGESPLAUPLGPLATF2
SCHEMBL9304320 0.81 PLAU (0.50) PTGESPLAUPLGPLATF2
SCHEMBL9303394 0.81 PLAU (0.47) PLAUPLGPLATF2KLKB1
SCHEMBL9303041 0.80 PLAU (0.61) PLAUPLGPLATF2KLKB1
SCHEMBL9302845 0.80 PTGES (0.52) PTGESPLAUPLGPLATF2

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