SCHEMBL8313372

SCHEMBL8313372

CN1CCNc2nc(CCCC(N)=S)ccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.41
ITGAV P06756 8/20 0.41
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 2/20 0.37
ITGB6 P18564 2/20 0.37
ITGA2B P08514 2/20 0.37

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
SCHEMBL6260649 0.86 ITGAV (0.40) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6260655 0.86 ITGAV (0.40) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL8333617 0.86 ITGAV (0.40) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6260652 0.81 ITGAV (0.40) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL12807021 0.81 ITGAV (0.42) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6219556 0.80 ITGB3 (0.43) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6221119 0.78 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL5847757 0.78 ITGAV (0.42) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL5847742 0.73 ITGAV (0.56) ITGB3ITGAVITGB5ITGB6ITGA2B
SCHEMBL31063405 0.70 ITGAV (0.38) ITGB3ITGAVITGB1ITGA5ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed