SCHEMBL4453827

SCHEMBL4453827

Cc1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1CC=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.68
INSR P06213 18/20 0.68
KCNH2 Q12809 3/20 0.64
PLK4 O00444 1/20 0.64
BUB1B O60566 1/20 0.64
JAK2 O60674 1/20 0.64
ROCK2 O75116 1/20 0.64
ABL1 P00519 1/20 0.64
EGFR P00533 1/20 0.64
NTRK1 P04629 1/20 0.64
LCK P06239 1/20 0.64
NPM1 P06748 1/20 0.64
FES P07332 1/20 0.64
LYN P07948 1/20 0.64
RET P07949 1/20 0.64
IGF1R P08069 1/20 0.64
ABCB1 P08183 1/20 0.64
MET P08581 1/20 0.64
ROS1 P08922 1/20 0.64
FGR P09769 1/20 0.64

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
SCHEMBL30165735 0.90 ALK (0.83) ALKINSR
SCHEMBL25566208 0.90 ALK (0.83) ALKINSR
SCHEMBL4453830 0.90 ALK (0.55) ALKINSRKCNH2PLK4BUB1B
SCHEMBL24853245 0.88 ALK (0.76) ALKINSRKCNH2PLK4BUB1B
SCHEMBL1546092 0.84 ALK (0.67) ALKINSRKCNH2PLK4BUB1B
SCHEMBL1546134 0.82 ALK (0.64) ALKINSRKCNH2PLK4BUB1B
SCHEMBL1545823 0.82 ALK (0.68) ALKINSRKCNH2PLK4BUB1B
SCHEMBL1545614 0.81 ALK (0.68) ALKINSRKCNH2PLK4BUB1B
SCHEMBL1546351 0.81 ALK (0.62) ALKINSRKCNH2PLK4BUB1B
SCHEMBL1545633 0.81 ALK (0.65) ALKINSRKCNH2PLK4BUB1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091918-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-08-26 EP disclosed
WO-2008073687-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-06-19 WO disclosed