SCHEMBL19908271

SCHEMBL19908271

O=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2Cl)CCN3)cc1)N1CCCC1CN1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.78
MET P08581 9/20 0.57

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
SCHEMBL1601008 1.00 ALK (0.78) ALKMET
SCHEMBL1601270 0.92 ALK (0.65) ALKMET
SCHEMBL1601273 0.92 ALK (0.65) ALKMET
SCHEMBL1601126 0.91 ALK (0.75) ALKMET
SCHEMBL1601129 0.91 ALK (0.75) ALKMET
SCHEMBL1602264 0.88 ALK (0.79) ALKMET
SCHEMBL12052420 0.88 ALK (1.00) ALKMET
SCHEMBL1600989 0.88 ALK (1.00) ALKMET
SCHEMBL12062805 0.88 ALK (0.63) ALKMET
SCHEMBL1601411 0.88 ALK (1.00) 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 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