SCHEMBL5778440

SCHEMBL5778440

Cc1noc(C)c1S(=O)(=O)NC(CNC(=O)c1cn(C)c2cc(CNC3=NCCN3)ccc2c1=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.47
ITGAV P06756 12/20 0.47
ITGA2B P08514 10/20 0.44
TP53 P04637 1/20 0.38
WDR5 P61964 2/20 0.36
F2 P00734 1/20 0.36
LMNA P02545 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
SCHEMBL5781179 0.89 ITGAV (0.58) ITGB3ITGAVITGA2B
SCHEMBL5779811 0.87 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL5778436 0.86 ITGB3 (0.45) ITGB3ITGAVITGA2BTP53F2
SCHEMBL1067415 0.84 ITGB3 (0.42) ITGB3ITGAVITGA2BWDR5
SCHEMBL5782856 0.83 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL5780694 0.80 ITGAV (0.58) ITGB3ITGAVITGA2B
SCHEMBL5776991 0.78 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL5783132 0.78 ITGB3 (0.59) ITGB3ITGAVITGA2BTP53WDR5
SCHEMBL5780345 0.77 ITGB3 (0.48) ITGB3ITGAVITGA2BWDR5
SCHEMBL5780038 0.76 ITGAV (0.75) ITGB3ITGAVITGA2B

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-0944619-B1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-10-11 EP claimed
EP-0944619-B1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-10-11 EP disclosed
US-6358976-B1 FOR THERAPY AND PROPHYLAXIS OF CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, OR MACULAR DEGENERATION LANTHEUS MI REAL ESTATE, LLC 2002-03-19 US disclosed
US-6130231-A SUBSTITUTED 2,3-DIHYDROQUINOLIN-4-ONES DUPONT PHARMACEUTICALS (US) 2000-10-10 US disclosed