SCHEMBL6962471

SCHEMBL6962471

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.33
DRD2 P14416 3/20 0.33
JAK3 P52333 2/20 0.33
PTK2 Q05397 2/20 0.33
JAK1 P23458 2/20 0.32
PABPC1 P11940 1/20 0.32
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32
EGFR P00533 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
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NAMPT P43490 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
THRB P10828 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
SCHEMBL6967410 0.88 KCNH3 (0.34) JAK2JAK1LMNAMAPTTHRB
SCHEMBL6967521 0.88 SCN9A (0.35) JAK2JAK3PTK2PABPC1
SCHEMBL6967519 0.88 SCN9A (0.35) JAK2JAK3PTK2PABPC1
SCHEMBL6954449 0.87 NOTUM (0.36) JAK2JAK1CDK2LMNAMAPT
SCHEMBL6967711 0.86 TRPC3 (0.37) JAK2JAK1LMNATHRB
SCHEMBL6968920 0.86 KLK7 (0.42) PABPC1CCNT1CCNA2CDK2CDK9
SCHEMBL6955844 0.86 SCN9A (0.35) JAK2JAK3PTK2PABPC1CCNT1
SCHEMBL6961818 0.86 PABPC1 (0.42) PABPC1MAPT
SCHEMBL6961824 0.86 PABPC1 (0.42) PABPC1MAPT
SCHEMBL6962395 0.85 GAA (0.36) THRB

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