SCHEMBL6563144

SCHEMBL6563144

CCOC(=O)CC(C)(C)C(=O)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
F10 P00742 13/20 0.37
F2 P00734 13/20 0.37
PRSS1 P07477 5/20 0.37
F7 P08709 2/20 0.37
PLAU P00749 6/20 0.35
PLAT P00750 6/20 0.35
PLG P00747 5/20 0.34
KLK1 P06870 2/20 0.34
KLK5 Q9Y337 2/20 0.34
NQO2 P16083 1/20 0.34
PRSS2 P07478 1/20 0.33
F3 P13726 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL6565608 0.89 ITGB3 (0.37) ITGB3ITGA2BF10F2PRSS1
SCHEMBL6563693 0.85 F2 (0.40) F10F2PRSS1F7PLAU
SCHEMBL7672248 0.79 F2 (0.40) F10F2PRSS1PLAUPLAT
SCHEMBL6562008 0.79 F2 (0.38) F10F2PRSS1PLAUPLAT
SCHEMBL6564369 0.77 F2 (0.38) F10F2PRSS1F7PLAU
SCHEMBL7670888 0.77 F2 (0.38) ITGB3ITGA2BF10F2PRSS1
SCHEMBL6561829 0.77 F2 (0.40) ITGB3ITGA2BF10F2PRSS1
SCHEMBL6563285 0.76 ITGB3 (0.39) ITGB3ITGA2BF10F2PRSS1
SCHEMBL6561956 0.76 ITGB3 (0.35) ITGB3ITGA2BF10F2PRSS1
SCHEMBL6565486 0.76 PLAU (0.41) ITGB3ITGA2BF10F2PLAU

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