SCHEMBL20156335

SCHEMBL20156335

COC(=O)CCN(C/C(C=N)=C/NCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)C(=O)OCc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20156071 0.79 MPO (0.35)
SCHEMBL20156351 0.76 MPO (0.35)
SCHEMBL20156337 0.76 ITGB3 (0.48)
SCHEMBL20156331 0.74 MPO (0.37)
SCHEMBL27406006 0.74 MPO (0.38)
SCHEMBL20156073 0.73 FGFR4 (0.34) MEN1KMT2A
SCHEMBL20025181 0.72 ITGAV (0.38)
SCHEMBL25352180 0.71 ITGAV (0.38)
SCHEMBL31075928 0.69 HSD11B1 (0.40)
SCHEMBL29702271 0.69 MPO (0.39)

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