SCHEMBL6967519

SCHEMBL6967519

Cc1c(COC(=O)C(NC(=O)OC(C)(C)C)C(C)C)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.35
FLT4 P35916 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
PABPC1 P11940 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CMA1 P23946 2/20 0.31
NPR3 P17342 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31

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
SCHEMBL6967521 1.00 SCN9A (0.35) SCN9AFLT4KMT2AMEN1JAK2
SCHEMBL6961824 0.89 PABPC1 (0.42) SCN9AKMT2APABPC1NPR3
SCHEMBL6955844 0.89 SCN9A (0.35) SCN9AJAK2JAK3PTK2PABPC1
SCHEMBL6961818 0.89 PABPC1 (0.42) SCN9AKMT2APABPC1NPR3
SCHEMBL6967941 0.89 TRPC3 (0.34) KMT2AMEN1JAK2KCNH3
SCHEMBL7688088 0.88 POLB (0.39) SCN9AKMT2AMEN1PABPC1
SCHEMBL7688087 0.88 POLB (0.39) SCN9AKMT2AMEN1PABPC1
SCHEMBL6968925 0.88 SCN9A (0.34) SCN9APABPC1
SCHEMBL6962471 0.88 JAK2 (0.33) JAK2JAK3PTK2PABPC1
SCHEMBL6955835 0.87 KLK7 (0.41) SCN9APABPC1

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-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed