SCHEMBL23677941

SCHEMBL23677941

CCOC(=O)CC(Nc1cccc(CCCc2ccc3c(n2)NCCC3)c1C=N)c1ccc(OC)nc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.54
ITGB3 P05106 19/20 0.54
ITGB6 P18564 10/20 0.52
ITGA2B P08514 3/20 0.49
ITGB1 P05556 2/20 0.48
ITGA5 P08648 2/20 0.48
ITGB8 P26012 3/20 0.48
ITGB5 P18084 2/20 0.45

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
SCHEMBL20153712 0.84 SUCNR1 (0.35) ITGAVITGB3ITGB6ITGA2B
SCHEMBL6303755 0.81 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB1
SCHEMBL6303762 0.81 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB1
SCHEMBL20153461 0.80 ITGAV (0.59) ITGAVITGB3ITGB6ITGA2BITGB1
SCHEMBL23558899 0.80 ITGAV (0.58) ITGAVITGB3ITGB6ITGA2BITGB1
SCHEMBL20153710 0.78 ITGAV (0.54) ITGAVITGB3ITGB6ITGA2BITGB1
SCHEMBL21311522 0.78 ITGAV (0.59) ITGAVITGB3ITGB6ITGA2BITGB1
SCHEMBL29860550 0.78 ITGAV (0.59) ITGAVITGB3ITGB6ITGA2BITGB1
SCHEMBL20153342 0.78 ITGAV (0.59) ITGAVITGB3ITGB6ITGA2BITGB1
SCHEMBL20158212 0.78 ITGAV (0.60) ITGAVITGB3ITGB6ITGA2BITGB1

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-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed