SCHEMBL19908230

SCHEMBL19908230

C=C(C)/C(=C\C=C(/C)C(=O)N1CCN(C)CC1)c1cnc2c(c1)N(Cc1cc(F)ccc1F)CC(C)(C)N2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.39
NTRK1 P04629 4/20 0.34
RIPK1 Q13546 3/20 0.32
ROCK2 O75116 1/20 0.31

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
SCHEMBL1601642 0.78 ALK (0.51) ALKNTRK1RIPK1
SCHEMBL19908262 0.72 ALK (0.54) ALKNTRK1RIPK1ROCK2
SCHEMBL1601371 0.70 ALK (0.43) ALKNTRK1RIPK1ROCK2
SCHEMBL1601638 0.70 ALK (0.64) ALKNTRK1RIPK1
SCHEMBL3824477 0.68 ALK (0.47) ALKNTRK1ROCK2
SCHEMBL3975528 0.68 ALK (0.60) ALKNTRK1RIPK1
SCHEMBL1601026 0.64 ALK (0.70) ALKNTRK1
SCHEMBL1601014 0.64 ALK (0.77) ALK
SCHEMBL1601012 0.64 ALK (0.77) ALK
SCHEMBL3988497 0.64 ALK (0.59) ALKNTRK1

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