SCHEMBL7091035

SCHEMBL7091035

CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)Cc1ccccc1C(CC(=O)O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 1.00
ITGAV P06756 17/20 1.00
ITGA2B P08514 1/20 0.57
PDK1 Q15118 2/20 0.47
PDK2 Q15119 2/20 0.47
PDK3 Q15120 2/20 0.47
PDK4 Q16654 2/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5494840 0.84 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7077881 0.83 ITGB3 (0.73) ITGB3ITGAVITGA2B
SCHEMBL7091404 0.83 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL7361495 0.82 ITGB3 (0.69) ITGB3ITGAVITGA2BPDK1PDK2
SCHEMBL5486017 0.79 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7095556 0.77 ITGB3 (0.63) ITGB3ITGAVITGA2B
SCHEMBL14222778 0.77 ITGB3 (0.62) ITGB3ITGAVITGA2BPDK1PDK2
SCHEMBL7916989 0.74 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6951971 0.74 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8739838 0.74 ITGB3 (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910563-B1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP claimed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US claimed
EP-0910563-B1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed