SCHEMBL20156291

SCHEMBL20156291

COc1ccc([C@H](CC(=O)O)NC(=O)/C(=C/NCCc2ccc3c(n2)NCCC3)C(C)=N)cc1F

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.62
ITGAV P06756 20/20 0.62
ITGB6 P18564 14/20 0.59
ITGB5 P18084 14/20 0.59
ITGB8 P26012 13/20 0.59
ITGA2B P08514 1/20 0.55

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
SCHEMBL23912864 0.94 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20156301 0.91 ITGB3 (0.57) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20156349 0.84 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL24521899 0.83 ITGB3 (0.67) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL23912890 0.83 ITGB3 (0.58) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL23912902 0.82 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL21314345 0.80 ITGB3 (0.69) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL21314347 0.80 ITGB3 (0.69) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL23394787 0.80 ITGB3 (0.69) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL23394773 0.80 ITGB3 (0.69) ITGB3ITGAVITGB6ITGB5ITGB8

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
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed