SCHEMBL20156034

SCHEMBL20156034

COC(=O)CC(NC(=O)/C(=C/NCCc1ccc2c(n1)NCCC2)C(=N)COC(C)(C)C)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.49
ITGB6 P18564 20/20 0.49
ITGB3 P05106 19/20 0.49
ITGB8 P26012 13/20 0.49
ITGB5 P18084 12/20 0.49

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
SCHEMBL20156250 0.96 ITGAV (0.52) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL20156282 0.94 ITGB3 (0.57) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL20156366 0.90 ITGAV (0.59) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL23912904 0.90 ITGAV (0.39) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL20156251 0.89 ITGAV (0.50) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL20156283 0.85 ITGB3 (0.38) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL20156033 0.84 ITGB3 (0.63) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL20156349 0.84 ITGB3 (0.49) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL20156301 0.83 ITGB3 (0.57) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL20156279 0.83 SUCNR1 (0.37) ITGAVITGB3

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-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed