SCHEMBL6563617

SCHEMBL6563617

Cc1cc(C(=O)N2CCCO2)c(C)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.37
MTOR P42345 4/20 0.37
F2 P00734 7/20 0.35
F10 P00742 5/20 0.35
PLAU P00749 5/20 0.35
PLAT P00750 5/20 0.35
PLG P00747 4/20 0.35
KLK1 P06870 1/20 0.35
KLK5 Q9Y337 1/20 0.35
F9 P00740 1/20 0.34
KLKB1 P03952 1/20 0.33
PRSS1 P07477 7/20 0.33
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
TMPRSS6 Q8IU80 2/20 0.32
ST14 Q9Y5Y6 2/20 0.32

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
SCHEMBL6562282 0.87 PIK3CA (0.44) PIK3CAMTORF2F10PLAU
SCHEMBL6563662 0.86 F10 (0.41) F2F10PLAUPLATPLG
SCHEMBL6563839 0.82 PLAU (0.39) F2F10PLAUPLATPLG
SCHEMBL6563410 0.81 GAA (0.40) F2F10PLAUPRSS1
SCHEMBL7672248 0.78 F2 (0.40) F2F10PLAUPLATPLG
SCHEMBL6561829 0.78 F2 (0.40) F2F10PLAUPLATPLG
SCHEMBL6563693 0.78 F2 (0.40) F2F10PLAUPLATPLG
SCHEMBL5885236 0.77 F10 (0.44) F10PRSS1
SCHEMBL7671074 0.77 F10 (0.43) F2F10PRSS1PRSS2PRSS3
SCHEMBL6563686 0.77 F10 (0.46) F10

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 2 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