SCHEMBL30833696

SCHEMBL30833696

NS(=O)(=O)Cc1ccccc1Nc1nc(Nc2ccc3c(Cl)n[nH]c3c2)ncc1Cl

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.52
FLT3 P36888 2/20 0.45
MET P08581 2/20 0.44
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
ULK1 O75385 1/20 0.43
PTK2 Q05397 1/20 0.42

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
SCHEMBL30833718 0.91 JAK3 (0.47) ALKFLT3METMAPK9PTK2
SCHEMBL30833666 0.89 ALK (0.49) ALKFLT3MET
SCHEMBL30833757 0.86 ALK (0.47) ALKFLT3METULK1PTK2
SCHEMBL30833672 0.85 ALK (0.51) ALKMAPK9MAPK10ULK1PTK2
SCHEMBL30833776 0.84 ALK (0.48) ALKFLT3METPTK2
SCHEMBL30833785 0.84 ALK (0.51) ALKFLT3MAPK9MAPK10ULK1
SCHEMBL30833724 0.84 ALK (0.52) ALKFLT3METMAPK9MAPK10
SCHEMBL29190551 0.83 ALK (0.67) ALKFLT3METPTK2
SCHEMBL30833625 0.79 ALK (0.52) ALKFLT3ULK1
SCHEMBL29190707 0.79 ALK (0.52) ALKFLT3ULK1

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed