SCHEMBL24521941

SCHEMBL24521941

O=CCC(c1ccc2nccnc2c1)c1nc(CCCCc2ccc3c(n2)NCCC3)cs1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.46
ITGB3 P05106 17/20 0.46
ITGA2B P08514 8/20 0.46
ITGB6 P18564 14/20 0.45
ITGB8 P26012 6/20 0.44
ITGB5 P18084 3/20 0.44

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
SCHEMBL21294598 0.89 ITGAV (0.54) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL29797112 0.89 ITGAV (0.54) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL21294617 0.89 ITGAV (0.54) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL20153322 0.89 ITGAV (0.54) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL29797071 0.89 ITGAV (0.54) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL30850967 0.89 ITGAV (0.54) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL24521993 0.83 ITGAV (0.47) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL24521896 0.83 ITGAV (0.50) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL24521922 0.81 ITGB3 (0.64) ITGAVITGB3ITGA2BITGB6ITGB8
SCHEMBL24521946 0.81 ITGAV (0.51) ITGAVITGB3ITGA2BITGB6ITGB8

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