SCHEMBL2411014

SCHEMBL2411014

CCc1c(NCCCc2ccc3c(n2)NCCC3)ncnc1NCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.66
ITGB3 P05106 10/20 0.66
ITGB6 P18564 10/20 0.48
ITGA5 P08648 2/20 0.45
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL275120 0.97 ITGAV (0.62) ITGAVITGB3ITGB6ITGA5ITGB1
SCHEMBL274666 0.94 ITGAV (0.67) ITGAVITGB3ITGB6ITGA5ITGB1
SCHEMBL276941 0.93 ITGAV (0.58) ITGAVITGB3ITGB6
SCHEMBL276261 0.87 ITGAV (0.65) ITGAVITGB3ITGB6ITGA5
SCHEMBL275899 0.86 ITGAV (0.59) ITGAVITGB3ITGB6ITGA5
SCHEMBL3741356 0.81 ITGAV (0.61) ITGAVITGB3ITGB6ITGA5
SCHEMBL6421344 0.80 ITGAV (1.00) ITGAVITGB3ITGB6
SCHEMBL6421342 0.80 ITGAV (1.00) ITGAVITGB3ITGB6
SCHEMBL13237151 0.80 ITGAV (0.51) ITGAVITGB3ITGB6ITGA5ITGB1
SCHEMBL2232146 0.80 ITGAV (0.51) ITGAVITGB3ITGB6ITGA5ITGB1

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