SCHEMBL2407360

SCHEMBL2407360

Cc1nc(NCC(NC(=O)OCc2ccccc2)C(=O)O)c(C)c(N2CC(c3ccc4c(n3)NCCC4)C2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.58
ITGB6 P18564 16/20 0.58
ITGB3 P05106 5/20 0.58
ITGB1 P05556 1/20 0.58
ITGA5 P08648 1/20 0.58
ITGB5 P18084 1/20 0.58
ITGB8 P26012 1/20 0.58

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 SCHEMBL275852 0.97 ITGAV (0.55) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2233629 0.93 ITGAV (0.67) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2233619 0.93 ITGAV (0.67) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL274823 0.93 ITGAV (0.52) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328050 0.90 ITGAV (0.65) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328085 0.89 ITGAV (0.66) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328042 0.88 ITGAV (0.64) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL12459429 0.87 ITGB3 (0.60) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2955533 0.86 ITGAV (0.60) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL278708 0.86 ITGAV (0.60) ITGAVITGB6ITGB3ITGB1ITGA5

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 4 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
US-7825119-B2 Bone disorders such as osteoporosis, tumors and cardiovascular disorders; 4-(2-carboxy-2-Boc-aminoethylamino)-6-piperidinopyrimidines such as tert-butyl 2-benzyloxycarbonylamino-3-[2,5-dimethoxy-6-(4-[1,8]naphthyridin-2-yl-piperidin-1-yl)pyrimidin-4-ylamino]-propionate GALAPAGOS SAS (FR) 2010-11-02 US disclosed