SCHEMBL19908286

SCHEMBL19908286

O=C1CNc2ncc(-c3ccc(C(=O)N4CCCC4CN4CCCC4)cc3)cc2N1Cc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.82
MET P08581 11/20 0.58
HRH3 Q9Y5N1 2/20 0.48
ATR Q13535 1/20 0.46

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
SCHEMBL1601607 1.00 ALK (0.82) ALKMETHRH3ATR
SCHEMBL1601519 0.92 ALK (0.73) ALKMETHRH3
SCHEMBL19908488 0.90 ALK (1.00) ALKMETHRH3
SCHEMBL1602249 0.90 ALK (1.00) ALKMETHRH3
SCHEMBL12730694 0.88 ALK (1.00) ALKMETHRH3
SCHEMBL1601411 0.88 ALK (1.00) ALKMETHRH3
SCHEMBL12062804 0.87 ALK (0.63) ALKMET
SCHEMBL1602264 0.87 ALK (0.79) ALKMETHRH3
SCHEMBL1600993 0.87 ALK (0.88) ALKMETHRH3
SCHEMBL1600991 0.87 ALK (0.88) ALKMETHRH3

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