SCHEMBL3977056

SCHEMBL3977056

CN(C)CCCCCCN(C(=O)c1ccc(-c2cnc3c(c2)N(Cc2ccccc2)C(=O)CN3)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.43
ACHE P22303 5/20 0.39
BRD4 O60885 1/20 0.38
HTT P42858 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1601051 0.85 L3MBTL1 (0.45) ALKPOLB
SCHEMBL1600949 0.85 L3MBTL1 (0.45) ALK
SCHEMBL1601579 0.82 ALK (0.51) ALKBRD4GSK3AGSK3B
SCHEMBL1602137 0.81 ALK (0.52) ALKBRD4GSK3AGSK3BMEN1
SCHEMBL1601524 0.80 ALK (0.51) ALKBRD4GSK3AGSK3B
SCHEMBL1602309 0.78 ALK (0.48) ALKBRD4GSK3AGSK3BPOLB
SCHEMBL1601450 0.78 ALK (0.48) ALKACHEBRD4GSK3AGSK3B
SCHEMBL1601725 0.76 ALK (0.52) ALKBRD4HTTPOLB
SCHEMBL3602326 0.76 GSK3A (0.48) ALKBRD4GSK3AGSK3BKMT2A
SCHEMBL1601088 0.75 CAMK2D (0.50)

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