SCHEMBL24521933

SCHEMBL24521933

Cc1ncc(C(CC(=O)OC(C)(C)C)N/C(=C\C=N)CCCc2ccc3c(n2)NCCCC3)cn1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.50
ITGB3 P05106 19/20 0.50
ITGB6 P18564 11/20 0.47
ITGB5 P18084 10/20 0.47
ITGB8 P26012 10/20 0.47

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
SCHEMBL20153412 0.85 ITGAV (0.49) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL24521902 0.84 ITGB3 (0.61) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL24521881 0.77 ITGB3 (0.56) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL29860487 0.76 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL20153410 0.76 ITGAV (0.52) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL20153336 0.75 ITGB3 (0.64) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL20153505 0.74 ITGB3 (0.53) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL24521899 0.73 ITGB3 (0.67) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL24521878 0.73 ITGAV (0.57) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL20153504 0.72 ITGB3 (0.62) ITGAVITGB3ITGB6ITGB5ITGB8

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-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed