SCHEMBL12498844

SCHEMBL12498844

Cc1ccccc1C(CC(=O)O)NC(=O)c1nc(Cl)c(N)nc1N.Nc1nc(N)c(C(=O)NC(CC(=O)O)c2ccc(-c3ccccc3)cc2)nc1Cl

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 20/20 0.85

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
SCHEMBL12498839 1.00 CTSA (0.85) CTSA
SCHEMBL12803886 0.92 CTSA (1.00) CTSA
SCHEMBL12803881 0.92 CTSA (1.00) CTSA
SCHEMBL12498841 0.92 CTSA (0.71) CTSA
SCHEMBL12804187 0.91 CTSA (1.00) CTSA
SCHEMBL27966330 0.74 CTSA (0.61) CTSA
SCHEMBL12498529 0.73 CTSA (1.00) CTSA
SCHEMBL12498526 0.73 CTSA (1.00) CTSA
SCHEMBL27945856 0.73 CTSA (0.66) CTSA
SCHEMBL15637633 0.72 CTSA (1.00) CTSA

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-2667870-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-12-04 — — EP claimed
WO-2012101197-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-08-02 — — WO claimed
EP-2667870-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-12-04 — — EP disclosed
WO-2012101197-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-08-02 — — WO disclosed
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