SCHEMBL2899491

SCHEMBL2899491

O=C(O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCCCN3)c2)C(I)C1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.50
ITGAV P06756 17/20 0.50
ITGA2B P08514 9/20 0.40
ITGB1 P05556 4/20 0.40
ITGB5 P18084 4/20 0.40
ITGB6 P18564 5/20 0.40

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
SCHEMBL2905737 0.89 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2906558 0.88 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2906882 0.81 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2906704 0.81 ITGB3 (0.38) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2907973 0.79 ITGB3 (0.38) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2928710 0.78 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8343883 0.78 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2906764 0.76 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2905461 0.73 ITGB3 (0.34) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2962102 0.71 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed