SCHEMBL7924352

SCHEMBL7924352

O=C(O)CC(NC(=O)CN1CC[C@H](NCc2ccc3c(n2)NCCC3)C1=O)c1cnc2ccccc2c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.79
ITGAV P06756 20/20 0.79
ITGA2B P08514 4/20 0.79
ITGB5 P18084 2/20 0.63

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
SCHEMBL7924358 1.00 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB5
SCHEMBL7924362 1.00 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB5
SCHEMBL7553511 0.88 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7915919 0.88 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7373199 0.87 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7405861 0.87 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7373207 0.87 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7405865 0.87 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7373202 0.87 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL6422671 0.79 ITGB3 (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001524079-A 2001-11-27 JP claimed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP claimed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO claimed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP disclosed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO disclosed