SCHEMBL19908488

SCHEMBL19908488

O=C1CNc2ncc(-c3ccc(C(=O)N4CCCC4CN4CCCC4)cc3)cc2N1Cc1c(Cl)cccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 1.00
MET P08581 11/20 0.60
CSF1R P07333 2/20 0.52
HRH3 Q9Y5N1 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
SCHEMBL1602249 1.00 ALK (1.00) ALKMETCSF1RHRH3
SCHEMBL19908286 0.90 ALK (0.82) ALKMETHRH3
SCHEMBL1601607 0.90 ALK (0.82) ALKMETHRH3
SCHEMBL1602264 0.88 ALK (0.79) ALKMETHRH3
SCHEMBL1600989 0.88 ALK (1.00) ALKMETCSF1R
SCHEMBL12062631 0.88 ALK (0.78) ALKMETCSF1R
SCHEMBL12052420 0.88 ALK (1.00) ALKMETCSF1R
SCHEMBL1600993 0.87 ALK (0.88) ALKMETHRH3
SCHEMBL1600991 0.87 ALK (0.88) ALKMETHRH3
SCHEMBL1601751 0.84 ALK (1.00) 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