SCHEMBL1715873

SCHEMBL1715873

CON(C(=O)c1ccccc1NCc1ccnc(NC(=O)OC2CCN(C(C)=O)CC2)c1)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
KIT P10721 9/20 0.38
BRAF P15056 9/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
CDK5 Q00535 3/20 0.37
CDK5R1 Q15078 3/20 0.37
DYRK1A Q13627 2/20 0.37
ADRA1A P35348 1/20 0.37
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM3 P20309 1/20 0.35
ACHE P22303 1/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL1715290 0.90 MAPK10 (0.49) KITBRAFMAPK8MAPK10CDK5
SCHEMBL1715456 0.84 KIT (0.40) KITBRAFADRA1A
SCHEMBL1715490 0.82 KIT (0.44) KITBRAFL3MBTL1
SCHEMBL1716061 0.82 AURKA (0.37) KITBRAFCDK5CDK5R1DYRK1A
SCHEMBL1715861 0.80 KIT (0.42) KITBRAF
SCHEMBL1715659 0.80 KIT (0.45) KITBRAFCDK5CDK5R1DYRK1A
SCHEMBL1715094 0.79 KIT (0.49) KITBRAFADRA1A
SCHEMBL1715329 0.78 KIT (0.40) KITBRAFADRA1A
SCHEMBL1715531 0.77 AURKA (0.47) KITBRAFMAPK10L3MBTL1
SCHEMBL1715686 0.77 KDM4E (0.44) KITBRAFCDK5CDK5R1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP claimed