SCHEMBL6962443

SCHEMBL6962443

Cc1c(COC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.35
PABPC1 P11940 1/20 0.35
SCN9A Q15858 8/20 0.34
TRHDE Q9UKU6 1/20 0.32
TRHR P34981 1/20 0.32
ACE P12821 1/20 0.32

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
SCHEMBL6961818 0.91 PABPC1 (0.42) PABPC1SCN9AACE
SCHEMBL6961824 0.91 PABPC1 (0.42) PABPC1SCN9AACE
SCHEMBL6955835 0.86 KLK7 (0.41) KLK7PABPC1SCN9A
SCHEMBL6955840 0.86 KLK7 (0.41) KLK7PABPC1SCN9A
SCHEMBL6966152 0.86 KLK7 (0.34) KLK7PABPC1SCN9ATRHDETRHR
SCHEMBL6958594 0.86 KLK7 (0.35) KLK7PABPC1SCN9ATRHDETRHR
SCHEMBL6968920 0.86 KLK7 (0.42) KLK7PABPC1SCN9A
SCHEMBL6968925 0.85 SCN9A (0.34) KLK7PABPC1SCN9A
SCHEMBL6955844 0.85 SCN9A (0.35) PABPC1SCN9A
SCHEMBL7688087 0.83 POLB (0.39) KLK7PABPC1SCN9A

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-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
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed