SCHEMBL3849023

SCHEMBL3849023

O=CC(c1cc(F)ccc1F)N1CCNc2ncc(-c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.55
L3MBTL1 Q9Y468 8/20 0.46
MET P08581 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
L3MBTL3 Q96JM7 9/20 0.41
MBTD1 Q05BQ5 4/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1601003 0.81 ALK (0.74) ALKL3MBTL1METKDM4EMEN1
SCHEMBL1600297 0.79 ALK (0.59) ALKL3MBTL1METKDM4EMEN1
SCHEMBL12062633 0.77 ALK (0.54) ALKMET
SCHEMBL12574166 0.77 NTRK1 (0.46) ALKMETMEN1KMT2A
SCHEMBL1600272 0.76 ALK (0.72) ALKL3MBTL1METKDM4EMEN1
SCHEMBL1600401 0.75 ALK (0.70) ALKL3MBTL1METKDM4EMEN1
SCHEMBL1602274 0.74 ALK (0.72) ALKL3MBTL1MKNK1MKNK2L3MBTL3
SCHEMBL3832876 0.73 L3MBTL1 (0.50) ALKL3MBTL1METKDM4EMEN1
SCHEMBL19908272 0.73 ALK (0.53) ALK
SCHEMBL1601923 0.73 ALK (0.71) ALKMET

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-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 WO disclosed