SCHEMBL6955844

SCHEMBL6955844

Cc1c(COC(=O)C(CO)NC(=O)OC(C)(C)C)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C.c1ccc2c(c1)C2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.35
PABPC1 P11940 1/20 0.34
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
CACNA1B Q00975 1/20 0.32
KCNH3 Q9ULD8 2/20 0.31
NPR3 P17342 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CCNA1 P78396 1/20 0.31
CALCRL Q16602 1/20 0.30

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
SCHEMBL6968925 0.94 SCN9A (0.34) SCN9APABPC1CACNA1BCCNT1CCNA2
SCHEMBL6961818 0.91 PABPC1 (0.42) SCN9APABPC1NPR3
SCHEMBL6961824 0.91 PABPC1 (0.42) SCN9APABPC1NPR3
SCHEMBL7688088 0.90 POLB (0.39) SCN9APABPC1CACNA1B
SCHEMBL7688087 0.90 POLB (0.39) SCN9APABPC1CACNA1B
SCHEMBL6955840 0.89 KLK7 (0.41) SCN9APABPC1CCNT1CCNA2CDK2
SCHEMBL6955835 0.89 KLK7 (0.41) SCN9APABPC1CCNT1CCNA2CDK2
SCHEMBL6967519 0.89 SCN9A (0.35) SCN9APABPC1JAK2JAK3PTK2
SCHEMBL6967521 0.89 SCN9A (0.35) SCN9APABPC1JAK2JAK3PTK2
SCHEMBL6968920 0.89 KLK7 (0.42) SCN9APABPC1CACNA1BCCNT1CCNA2

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