SCHEMBL27650243

SCHEMBL27650243

CC(Oc1[c]ncc(-c2ccc(OCCN3CCOCC3)cc2)n1)c1c(F)ccc(F)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.47
MET P08581 3/20 0.46
INPPL1 O15357 1/20 0.42
ACHE P22303 3/20 0.42
NTRK1 P04629 1/20 0.41
BCHE P06276 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
SYK P43405 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27650178 0.95 ALK (0.53) ALKMETINPPL1ACHENTRK1
SCHEMBL488088 0.84 ALK (0.54) ALKMETINPPL1ACHENTRK1
SCHEMBL488016 0.79 ALK (0.61) ALKMETINPPL1NTRK1
SCHEMBL30452658 0.79 ALK (0.61) ALKMETINPPL1NTRK1
SCHEMBL487940 0.78 ALK (0.72) ALKMET
SCHEMBL31672562 0.78 MET (0.44) ALKMETINPPL1ACHENTRK1
SCHEMBL30453916 0.78 ALK (0.72) ALKMET
SCHEMBL488154 0.77 ALK (0.49) ALKMETACHENTRK1BCHE
SCHEMBL30452612 0.77 ALK (0.49) ALKMETACHENTRK1BCHE
SCHEMBL27630100 0.75 MET (0.60) METACHEBCHEMAOAMAOB

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
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 CN disclosed