SCHEMBL9303751

SCHEMBL9303751

N=C(N)Nc1cccc(C(=O)Nc2ccc(C(=N)N)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.62
ITGA2B P08514 2/20 0.62
PLAU P00749 8/20 0.61
F2 P00734 7/20 0.61
PRSS1 P07477 6/20 0.61
PLG P00747 6/20 0.61
PLAT P00750 5/20 0.61
KLKB1 P03952 4/20 0.61
KLK1 P06870 2/20 0.61
F10 P00742 3/20 0.58
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
HPSE Q9Y251 1/20 0.55
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
TMPRSS6 Q8IU80 1/20 0.54
ST14 Q9Y5Y6 1/20 0.54
MEN1 O00255 1/20 0.54
KLK5 Q9Y337 1/20 0.52

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
SCHEMBL9304281 0.94 PLAU (0.61) ITGB3ITGA2BPLAUF2PRSS1
SCHEMBL9303041 0.92 PLAU (0.61) ITGB3ITGA2BPLAUF2PRSS1
SCHEMBL12348330 0.89 MEN1 (0.67) ITGB3ITGA2BPLAUF2PRSS1
SCHEMBL9305779 0.89 PLAU (0.71) PLAUF2PRSS1PLGPLAT
SCHEMBL9303237 0.88 PLAU (0.65) PLAUF2PRSS1PLGPLAT
SCHEMBL9303338 0.86 F2 (0.67) PLAUF2PRSS1PLGPLAT
SCHEMBL24313036 0.84 PARP1 (0.61) ITGB3ITGA2BPLAUF2PRSS1
SCHEMBL13791589 0.83 PLAU (0.71) ITGB3ITGA2BPLAUF2PRSS1
SCHEMBL7503148 0.83 KMT2A (0.55) ITGB3ITGA2BPLAUF2PRSS1
SCHEMBL7503147 0.83 KMT2A (0.55) ITGB3ITGA2BPLAUF2PRSS1

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