SCHEMBL20156283

SCHEMBL20156283

COC(=O)CC(NC(=O)/C(=C/NCc1cc2c(nc1C)NCCC2)C(=N)COC(C)(C)C)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.38
ITGAV P06756 12/20 0.38
ITGB5 P18084 9/20 0.38
ITGB6 P18564 9/20 0.38
ITGB8 P26012 9/20 0.38

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
SCHEMBL23912904 0.94 ITGAV (0.39) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20156034 0.85 ITGAV (0.49) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20156250 0.84 ITGAV (0.52) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20156083 0.84 ITGB3 (0.40) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20156278 0.83 WDR5 (0.32)
SCHEMBL20156282 0.79 ITGB3 (0.57) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20156366 0.78 ITGAV (0.59) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20156251 0.76 ITGAV (0.50) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL21281689 0.75 ITGB3 (0.38) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20156363 0.74 ITGB3 (0.38) ITGB3ITGAVITGB5ITGB6ITGB8

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