SCHEMBL20153809

SCHEMBL20153809

Cc1ncc(C(CC(O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)cn1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.52
ITGAV P06756 20/20 0.52
ITGB5 P18084 3/20 0.52

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
SCHEMBL20139307 0.89 ITGB3 (0.65) ITGB3ITGAVITGB5
SCHEMBL20139511 0.89 ITGB3 (0.65) ITGB3ITGAVITGB5
SCHEMBL29744158 0.89 ITGB3 (0.65) ITGB3ITGAVITGB5
SCHEMBL20139303 0.89 ITGB3 (0.65) ITGB3ITGAVITGB5
SCHEMBL29744049 0.89 ITGB3 (0.65) ITGB3ITGAVITGB5
SCHEMBL22600391 0.87 ITGB3 (0.56) ITGB3ITGAVITGB5
SCHEMBL23677922 0.86 ITGB3 (0.56) ITGB3ITGAVITGB5
SCHEMBL22600445 0.84 ITGB3 (0.54) ITGB3ITGAVITGB5
SCHEMBL20139246 0.82 ITGB3 (0.67) ITGB3ITGAVITGB5
SCHEMBL20139528 0.82 ITGB3 (0.67) 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