Sugi Predict

Sugi Predict / Compounds / SCHEMBL8327610

SCHEMBL8327610

SCHEMBL8327610

Cc1ccc2[nH]c(CN(C)C(=O)c3ccc4c(c3)CNC(=O)C(CC(=O)O)N4)nc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 1.00
▸ ITGAV P06756 20/20 1.00
▸ ITGA2B P08514 1/20 0.55

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
SCHEMBL7909948 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7916989 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6951971 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8325731 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8469126 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8330279 0.75 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8739838 0.74 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL8739433 0.73 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL8468350 0.73 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL5494840 0.72 ITGB3 (0.74) ITGB3ITGAVITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 — — EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 — — EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 — — WO disclosed