SCHEMBL20153777

SCHEMBL20153777

CCOC(=O)CC(c1ccc(OC)nc1)n1cc2cc(OCCc3ccc4c(n3)N(C(=O)OC(C)(C)C)CCC4)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.40
ITGAV P06756 20/20 0.40
ITGB6 P18564 4/20 0.40
ITGB1 P05556 2/20 0.35
ITGA5 P08648 2/20 0.35
ITGA2B P08514 2/20 0.35
ITGB8 P26012 1/20 0.35
ITGB5 P18084 2/20 0.33

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
SCHEMBL21282941 1.00 ITGB3 (0.40) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL861269 0.81 ITGB3 (0.57) ITGB3ITGAVITGB5
SCHEMBL861506 0.79 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL860614 0.78 ITGB3 (0.59) ITGB3ITGAVITGB5
SCHEMBL860336 0.77 ITGB3 (0.59) ITGB3ITGAVITGB5
SCHEMBL861676 0.77 ITGB3 (0.56) ITGB3ITGAVITGB5
SCHEMBL862008 0.77 ITGB3 (0.57) ITGB3ITGAVITGB5
SCHEMBL860404 0.77 ITGB3 (0.57) ITGB3ITGAVITGB5
SCHEMBL860620 0.77 ITGB3 (0.58) ITGB3ITGAVITGB5
SCHEMBL861296 0.77 ITGB3 (0.58) ITGB3ITGAVITGB5

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
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed