SCHEMBL23912915

SCHEMBL23912915

N=C/C(C(=O)NC(CC(=O)O)c1ccc(Cl)c(C(F)(F)F)c1)=C(/CO)NCCc1ccc2c(n1)NCCC2

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.66
ITGB6 P18564 17/20 0.66
ITGB3 P05106 17/20 0.66
ITGB8 P26012 16/20 0.66
ITGB5 P18084 15/20 0.66

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
SCHEMBL23912919 0.88 ITGB3 (0.63) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL20156075 0.88 ITGB3 (0.65) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL23912906 0.77 ITGAV (0.59) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL23912922 0.77 ITGB3 (0.49) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL21272399 0.75 ITGAV (0.68) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL21272379 0.75 ITGAV (0.68) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL23790348 0.74 ITGAV (0.98) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL23912890 0.74 ITGB3 (0.58) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL20156314 0.74 ITGB3 (0.65) ITGAVITGB6ITGB3ITGB8ITGB5
SCHEMBL18029432 0.73 ITGAV (1.00) ITGAVITGB6ITGB3ITGB8ITGB5

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-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed