SCHEMBL24565194

SCHEMBL24565194

CCN(CCCOc1cccc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.57
▸ MET P08581 6/20 0.57
▸ FLT3 P36888 2/20 0.49
▸ PTK2 Q05397 1/20 0.47
▸ ROS1 P08922 2/20 0.47
▸ EGFR P00533 4/20 0.46
▸ GLO1 Q04760 2/20 0.46

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 0.91 ALK (0.60) ALKMETFLT3ROS1EGFR
SCHEMBL1038584 0.89 ALK (0.61) ALKMETFLT3PTK2ROS1
SCHEMBL24565466 0.87 ALK (0.55) ALKMETFLT3ROS1EGFR
SCHEMBL24565264 0.87 EGFR (0.56) ALKMETROS1EGFR
SCHEMBL24565276 0.86 ALK (0.61) ALKMETFLT3PTK2ROS1
SCHEMBL1035873 0.85 ALK (0.67) ALKMETFLT3PTK2ROS1
SCHEMBL541915 0.85 ALK (0.69) ALKMETFLT3PTK2ROS1
SCHEMBL24565166 0.83 EGFR (0.55) ALKMETFLT3ROS1EGFR
SCHEMBL1040153 0.82 ALK (0.63) ALKMETFLT3PTK2ROS1
SCHEMBL12726512 0.81 ALK (0.63) ALKMETFLT3ROS1EGFR

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
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