SCHEMBL2411809

SCHEMBL2411809

CCc1c(NCC(N)C(=O)O)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.51
ITGB3 P05106 13/20 0.51
ITGB6 P18564 8/20 0.51
ITGB5 P18084 4/20 0.51
ITGA5 P08648 3/20 0.51
ITGB1 P05556 2/20 0.51
ITGB8 P26012 1/20 0.51
ITGA2B P08514 1/20 0.36

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
SCHEMBL2411157 0.92 ITGAV (0.57) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL8350656 0.90 ITGAV (0.47) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL275631 0.90 ITGAV (0.47) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL4558441 0.88 ITGAV (0.54) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL327997 0.88 ITGAV (0.53) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL2232924 0.88 ITGAV (0.48) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL277232 0.88 ITGAV (0.53) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL2440964 0.86 ITGAV (0.52) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL328144 0.86 ITGAV (0.52) ITGAVITGB3ITGB6ITGB5ITGA5
SCHEMBL328036 0.86 ITGAV (0.52) ITGAVITGB3ITGB6ITGB5ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747222-B1 PYRIMIDINE DERIVATIVES ANTAGONISTS OF VITRONECTIN RECEPTOR GALAPAGOS NV (BE) 2014-04-16 EP disclosed
EP-2368891-B1 Pyrimidines derivatives as antagonists of the vitronectine receptors GALAPAGOS NV (BE) 2012-09-19 EP disclosed
EP-2368891-A1 Pyrimidines derivatives as antagonists of the vitronectine receptors Galapagos SAS (FR) 2011-09-28 EP disclosed
EP-1747222-A1 PYRIMIDINE DERIVATIVES ANTAGONISTS OF VITRONECTIN RECEPTOR Proskelia SAS (FR) 2007-01-31 EP disclosed
WO-2005123734-A1 PYRIMIDINE DERIVATIVES ANTAGONISTS OF VITRONECTIN RECEPTOR PROSKELIA SAS (FR) 2005-12-29 WO disclosed