SCHEMBL5103170

SCHEMBL5103170

O=C1CCc2cc(-c3cc(C4CCCN(C(=O)CN5CCOCC5)C4)oc3-c3ccncc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.47
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
NAMPT P43490 4/20 0.36
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL14038734 0.91 BRAF (0.47) BRAFTMEM97SIGMAR1NAMPTKDM4E
SCHEMBL5110302 0.90 BRAF (0.62) BRAFMAPK3MAPK1
SCHEMBL5110305 0.90 BRAF (0.62) BRAFMAPK3MAPK1
SCHEMBL5204343 0.90 BRAF (0.62) BRAFMAPK3MAPK1
SCHEMBL5114667 0.89 TMEM97 (0.47) BRAFTMEM97SIGMAR1NAMPT
SCHEMBL5109890 0.88 BRAF (0.47) BRAFHRH3ALDH1A1LMNAMAPK3
SCHEMBL6761888 0.86 BRAF (0.46) BRAFTMEM97SIGMAR1NAMPTKDM4E
SCHEMBL5204757 0.85 BRAF (0.60) BRAFMAPK3MAPK1
SCHEMBL5115997 0.85 BRAF (0.60) BRAFMAPK3MAPK1
SCHEMBL5115999 0.85 BRAF (0.60) BRAFMAPK3MAPK1

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-7452906-B2 Pyridine derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2008-11-18 US disclosed
EP-1423384-B1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2007-05-23 EP disclosed
EP-1423384-A1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-02 EP disclosed
WO-2003022840-A1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-03-20 WO disclosed