SCHEMBL23912922

SCHEMBL23912922

Cc1nc2c(cc1CCN/C(CO)=C(\C=N)C(=O)NC(CC(=O)O)c1cc(Cl)cc(Cl)c1)CCCN2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.49
ITGAV P06756 20/20 0.49
ITGB6 P18564 18/20 0.49
ITGB5 P18084 15/20 0.49
ITGB8 P26012 15/20 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
SCHEMBL23912919 0.87 ITGB3 (0.63) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20156075 0.81 ITGB3 (0.65) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL23912906 0.77 ITGAV (0.59) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL23912915 0.77 ITGAV (0.66) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20157746 0.75 ITGAV (0.50) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL29701374 0.73 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL21272314 0.73 ITGB3 (0.50) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20142853 0.73 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL20142850 0.73 ITGB3 (0.48) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL21272371 0.73 ITGB3 (0.49) 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
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed