SCHEMBL1715290

SCHEMBL1715290

CON(C(=O)c1ccccc1NCc1ccnc(NC(=O)C2CCN(C(C)=O)CC2)c1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.49
MAPK8 P45983 6/20 0.49
MAPK14 Q16539 4/20 0.42
PIK3C3 Q8NEB9 1/20 0.41
KIT P10721 5/20 0.40
BRAF P15056 5/20 0.40
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37

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
SCHEMBL1715873 0.90 CCNE1 (0.38) MAPK10MAPK8KITBRAFCDK5
SCHEMBL1715490 0.84 KIT (0.44) KITBRAFHSD17B10ALDH1A1
SCHEMBL1715329 0.83 KIT (0.40) PIK3C3KITBRAFKDM4E
SCHEMBL1715861 0.82 KIT (0.42) KITBRAF
SCHEMBL1715531 0.82 AURKA (0.47) MAPK10KITBRAFTSHR
SCHEMBL1715659 0.81 KIT (0.45) KITBRAFCDK5DYRK1ACDK5R1
SCHEMBL1715094 0.81 KIT (0.49) PIK3C3KITBRAF
SCHEMBL1715456 0.79 KIT (0.40) KITBRAF
SCHEMBL1715686 0.79 KDM4E (0.44) KITBRAFCDK5DYRK1ACDK5R1
SCHEMBL1714842 0.79 KIT (0.41) KITBRAFCDK5DYRK1ACDK5R1

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
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US claimed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed