SCHEMBL2440964

SCHEMBL2440964

C=CCNC(CNc1ncnc(N2CCC(c3ccc4c(n3)NCCC4)CC2)c1CC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.52
ITGB6 P18564 19/20 0.52
ITGA5 P08648 10/20 0.52
ITGB3 P05106 2/20 0.52
ITGB1 P05556 1/20 0.52
ITGB5 P18084 1/20 0.52
ITGB8 P26012 1/20 0.52

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
SCHEMBL278507 0.91 ITGAV (0.48) ITGAVITGB6ITGA5ITGB3ITGB1
SCHEMBL327997 0.90 ITGAV (0.53) ITGAVITGB6ITGA5ITGB3ITGB1
SCHEMBL277232 0.90 ITGAV (0.53) ITGAVITGB6ITGA5ITGB3ITGB1
SCHEMBL328033 0.89 ITGAV (0.52) ITGAVITGB6ITGA5ITGB3ITGB1
SCHEMBL4558441 0.88 ITGAV (0.54) ITGAVITGB6ITGA5ITGB3ITGB1
SCHEMBL327984 0.87 ITGAV (0.51) ITGAVITGB6ITGA5ITGB3ITGB1
SCHEMBL328070 0.86 ITGAV (0.50) ITGAVITGB6ITGA5ITGB3ITGB1
SCHEMBL2411809 0.86 ITGAV (0.51) ITGAVITGB6ITGA5ITGB3ITGB1
SCHEMBL328144 0.86 ITGAV (0.52) ITGAVITGB6ITGA5ITGB3ITGB1
SCHEMBL8268188 0.86 ITGAV (0.52) ITGAVITGB6ITGA5ITGB3ITGB1

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