SCHEMBL6563749

SCHEMBL6563749

CN(C)CCN(C)C(=O)c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
PRSS1 P07477 9/20 0.39
ACACB O00763 1/20 0.38
F2 P00734 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
TMPRSS6 Q8IU80 3/20 0.38
ST14 Q9Y5Y6 3/20 0.38
ATR Q13535 1/20 0.38

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
SCHEMBL6563743 0.87 PRSS1 (0.43) PRSS1ACACBF2PRSS2PRSS3
SCHEMBL6561886 0.82 PLAU (0.53) ITGB3ITGA2BACACBF2
SCHEMBL6565505 0.81 MTOR (0.36) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6561813 0.81 PTPN11 (0.42) ACACBATR
SCHEMBL7804868 0.78 LMNA (0.40) ACACBF2ATR
SCHEMBL6563461 0.78 PRSS1 (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7670899 0.77 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563625 0.77 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6561878 0.77 PRSS1 (0.43) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL7674188 0.76 EGLN1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6

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