SCHEMBL336879

SCHEMBL336879

CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CBC(=O)CN2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.64
ITGAV P06756 16/20 0.64
ITGA2B P08514 1/20 0.56
PDK1 Q15118 2/20 0.49
PDK2 Q15119 2/20 0.49
PDK3 Q15120 2/20 0.49
PDK4 Q16654 2/20 0.49
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8739838 0.82 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL6951971 0.78 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7916989 0.78 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8739433 0.78 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL13936150 0.73 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL15086003 0.73 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL8356952 0.73 ITGB3 (0.60) ITGB3ITGAVITGA2BPDK1PDK2
SCHEMBL7361487 0.72 ITGB3 (0.64) ITGB3ITGAVITGA2BPDK1PDK2
SCHEMBL245523 0.72 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL31321063 0.72 ITGB3 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428226-A1 Antibody targeting compounds THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-14 EP disclosed
WO-2003034995-A2 INTEGRIN TARGETING COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 2003-05-01 WO disclosed