SCHEMBL6563839

SCHEMBL6563839

Cc1cc(C(=O)N2C3CCC2CC3)c(C)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 10/20 0.39
F2 P00734 8/20 0.39
F10 P00742 6/20 0.39
PLAT P00750 6/20 0.39
PLG P00747 4/20 0.39
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
HPN P05981 5/20 0.38
PRSS1 P07477 4/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
TMPRSS6 Q8IU80 2/20 0.34
ST14 Q9Y5Y6 2/20 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
SCHEMBL6563662 0.86 F10 (0.41) PLAUF2F10PLATPLG
SCHEMBL6563410 0.85 GAA (0.40) PLAUF2F10HPNPRSS1
SCHEMBL6563627 0.84 PTPN11 (0.33)
SCHEMBL6563617 0.82 PIK3CA (0.37) PLAUF2F10PLATPLG
SCHEMBL7672248 0.81 F2 (0.40) PLAUF2F10PLATPLG
SCHEMBL6561829 0.81 F2 (0.40) PLAUF2F10PLATPLG
SCHEMBL6563693 0.81 F2 (0.40) PLAUF2F10PLATPLG
SCHEMBL6564369 0.79 F2 (0.38) PLAUF2F10PLATPLG
SCHEMBL6562008 0.78 F2 (0.38) PLAUF2F10PLATPLG
SCHEMBL6562043 0.78 PLAU (0.37) PLAUF2F10PLATPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed