SCHEMBL6426183

SCHEMBL6426183

O=C(NCC1CCC(Nc2nc3ccccc3[nH]2)CC1)c1csc(CN2C(=O)CC[CH]c3ccccc32)n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.51
ITGAV P06756 12/20 0.51
SLC40A1 Q9NP59 7/20 0.39
GSK3A P49840 1/20 0.36
GSK3B P49841 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
SCHEMBL6426185 0.87 ITGB3 (0.51) ITGB3ITGAVSLC40A1
SCHEMBL6424125 0.82 ITGB3 (0.54) ITGB3ITGAVSLC40A1
SCHEMBL5028375 0.78 ITGB3 (0.46) ITGB3ITGAVSLC40A1
SCHEMBL5026305 0.76 ITGB3 (0.43) ITGB3ITGAVSLC40A1
SCHEMBL6439935 0.75 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL6439155 0.73 AURKA (0.42) ITGB3ITGAVGSK3AGSK3B
SCHEMBL6441098 0.69 ITGB3 (0.38) ITGB3ITGAVSLC40A1
SCHEMBL5026489 0.69 ITGB3 (0.71) ITGB3ITGAVGSK3AGSK3B
SCHEMBL5025474 0.69 ITGB3 (0.73) ITGB3ITGAVGSK3AGSK3B
SCHEMBL5026293 0.68 ITGB3 (1.00) ITGB3ITGAV

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
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed