SCHEMBL29190551

SCHEMBL29190551

CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc3c(Cl)n[nH]c3c2)ncc1Cl

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.67
FLT3 P36888 2/20 0.60
MET P08581 2/20 0.58
GLO1 Q04760 1/20 0.55
PTK2 Q05397 1/20 0.51
EGFR P00533 4/20 0.51

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
SCHEMBL29190642 0.92 ALK (0.59) ALKFLT3METGLO1EGFR
SCHEMBL29190699 0.92 ALK (0.66) ALKFLT3METGLO1PTK2
SCHEMBL29190714 0.88 ALK (0.61) ALKFLT3METGLO1EGFR
SCHEMBL29190632 0.86 ALK (0.63) ALKFLT3METGLO1PTK2
SCHEMBL29190563 0.85 ALK (0.64) ALKFLT3METGLO1PTK2
SCHEMBL29190605 0.85 ALK (0.67) ALKFLT3METEGFR
SCHEMBL29190607 0.83 ALK (0.63) ALKFLT3METGLO1PTK2
SCHEMBL30833625 0.83 ALK (0.52) ALKFLT3
SCHEMBL29190707 0.83 ALK (0.52) ALKFLT3
SCHEMBL29190590 0.82 ALK (0.70) ALKFLT3METGLO1PTK2

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