SCHEMBL6563915

SCHEMBL6563915

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
PRSS1 P07477 9/20 0.35
PLAU P00749 5/20 0.35
F2 P00734 5/20 0.35
F10 P00742 2/20 0.35
PLG P00747 2/20 0.35
PLAT P00750 2/20 0.35
KLK1 P06870 1/20 0.35
KLK5 Q9Y337 1/20 0.35
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
TMPRSS6 Q8IU80 3/20 0.34
ST14 Q9Y5Y6 3/20 0.34
HPN P05981 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
SCHEMBL6562499 0.91 ITGB3 (0.34) ITGB3ITGA2BPRSS1PLAUF2
SCHEMBL4250003 0.90 ITGB3 (0.37) ITGB3ITGA2BPRSS1PLAUF2
SCHEMBL6561947 0.89 F10 (0.36) ITGB3ITGA2BPRSS1PLAUF2
SCHEMBL6565916 0.89 ITGB3 (0.35) ITGB3ITGA2BPRSS1PLAUF2
SCHEMBL6563611 0.89 ITGB3 (0.38) ITGB3ITGA2BPRSS1PLAUF2
SCHEMBL4250057 0.88 ITGB3 (0.38) ITGB3ITGA2BPRSS1F2F10
SCHEMBL6562025 0.88 ITGB3 (0.36) ITGB3ITGA2BPRSS1PLAUF2
SCHEMBL6565190 0.88 MRGPRX1 (0.33) ITGB3ITGA2BPRSS1PLAUF2
SCHEMBL6563300 0.87 ITGB3 (0.37) ITGB3ITGA2BPRSS1PLAUF2
SCHEMBL6562071 0.87 F10 (0.34) ITGB3ITGA2BPRSS1PLAUF2

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