SCHEMBL19908296

SCHEMBL19908296

O=C(c1ccc(-c2cnc3c(c2)N(Cc2c(Cl)cccc2Cl)C(O)CN3)cc1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.55
IKBKB O14920 1/20 0.44
MET P08581 2/20 0.43
L3MBTL3 Q96JM7 7/20 0.43
L3MBTL1 Q9Y468 6/20 0.43
MBTD1 Q05BQ5 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
LRRK2 Q5S007 1/20 0.41
EIF4E P06730 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
SCHEMBL1601304 0.86 ALK (0.70) ALKIKBKBMETL3MBTL3L3MBTL1
SCHEMBL1601160 0.84 ALK (0.70) ALKIKBKBMETL3MBTL3L3MBTL1
SCHEMBL1602274 0.77 ALK (0.72) ALKL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL19908241 0.76 POLB (0.48) ALKMKNK1MKNK2
SCHEMBL1601395 0.75 ALK (0.57) ALKL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1601570 0.75 ALK (0.82) ALKIKBKBMETL3MBTL3L3MBTL1
SCHEMBL1601143 0.75 ALK (0.73) ALKMETL3MBTL3L3MBTL1MBTD1
SCHEMBL1600272 0.74 ALK (0.72) ALKIKBKBMETL3MBTL3L3MBTL1
SCHEMBL487790 0.74 MET (0.68) METL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1602224 0.74 ALK (0.65) ALKIKBKBMETL3MBTL3L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed