SCHEMBL16965892

SCHEMBL16965892

CNC(=O)c1cccc(Nc2nc(N(C)c3ccc4c(c3)CCCC(=O)N4)ncc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
INSR P06213 6/20 0.52
ALK Q9UM73 2/20 0.52
MET P08581 7/20 0.51
ULK1 O75385 2/20 0.44
CRBN Q96SW2 5/20 0.38
BCL6 P41182 1/20 0.38
KIF11 P52732 1/20 0.38
ROCK2 O75116 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL2915923 0.74 ULK1 (0.49) INSRALKMETULK1
SCHEMBL885968 0.72 MET (0.78) INSRALKMETULK1
SCHEMBL886296 0.72 MET (0.74) INSRALKMETULK1
SCHEMBL19654273 0.71 ULK1 (0.65) INSRALKMETULK1
SCHEMBL2061066 0.71 ALK (0.55) INSRALKMETSCN9A
SCHEMBL16965915 0.70 MET (0.67) INSRMET
SCHEMBL17545094 0.70 ULK1 (0.75) ULK1
SCHEMBL1742623 0.70 JAK1 (0.47)
SCHEMBL886397 0.69 MET (0.68) INSRALKMETULK1
SCHEMBL886541 0.68 INSR (1.00) INSRALKMET

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-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed