SCHEMBL24565333

SCHEMBL24565333

CCN(C)CCCOc1cccc(Nc2nc(Nc3ccccc3NS(C)(=O)=O)c3c(Cl)c[nH]c3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 6/20 0.44
▸ MET P08581 2/20 0.44
▸ PTK2 Q05397 3/20 0.40
▸ AGER Q15109 1/20 0.40
▸ GLO1 Q04760 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ EGFR P00533 6/20 0.38
▸ ROS1 P08922 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ MAP4K1 Q92918 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
SCHEMBL24565269 0.86 ALK (0.60) ALKMETGLO1FLT3EGFR
SCHEMBL24565194 0.79 ALK (0.57) ALKMETPTK2GLO1FLT3
SCHEMBL1038584 0.77 ALK (0.61) ALKMETPTK2AGERGLO1
SCHEMBL24565252 0.76 ALK (0.41) ALKPTK2EGFRLRRK2MAP4K1
SCHEMBL24565466 0.76 ALK (0.55) ALKMETFLT3EGFRROS1
SCHEMBL24565260 0.74 EGFR (0.58) ALKMETEGFRROS1LRRK2
SCHEMBL24565276 0.74 ALK (0.61) ALKMETPTK2GLO1FLT3
SCHEMBL24565166 0.74 EGFR (0.55) ALKMETFLT3EGFRROS1
SCHEMBL24565304 0.74 JAK2 (0.45) ALKPTK2EGFRMAP4K1
SCHEMBL541915 0.73 ALK (0.69) ALKMETPTK2GLO1FLT3

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
WO-2022139386-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-06-30 — — WO disclosed
Send feedback