SCHEMBL1715737

SCHEMBL1715737

CC(=O)N1CCC(C(=O)Nc2cc(CNc3ccccc3C(=O)NOCc3ccc(C#N)cc3)ccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.45
MAPK10 P53779 2/20 0.45
KIT P10721 6/20 0.40
BRAF P15056 6/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
CCR5 P51681 1/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
ENPP2 Q13822 3/20 0.37
GPR6 P46095 1/20 0.37
MAPK14 Q16539 1/20 0.37
USP30 Q70CQ3 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1714733 0.92 PIK3C3 (0.46) KITBRAFPIK3C3GSK3AGSK3B
SCHEMBL1716027 0.91 KIT (0.39) MAPK8MAPK10KITBRAFENPP2
SCHEMBL1715216 0.84 HDAC1 (0.43) KITBRAFPIK3C3GSK3AGSK3B
SCHEMBL1715779 0.83 KIT (0.46) KITBRAFHSD17B10
SCHEMBL1716023 0.83 KIT (0.53) KITBRAF
SCHEMBL1714811 0.82 KIT (0.42) KITBRAF
SCHEMBL1715900 0.82 AURKA (0.47) MAPK10KITBRAFTSHR
SCHEMBL12204355 0.82 KIT (0.42) KITBRAF
SCHEMBL1715222 0.82 KIT (0.54) KITBRAF
SCHEMBL1715787 0.81 TP53 (0.43) KITBRAF

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