SCHEMBL30833666

SCHEMBL30833666

NS(=O)(=O)Cc1ccccc1Nc1nc(Nc2ccc3c(C4CC4)n[nH]c3c2)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.49
IGF1R P08069 1/20 0.44
FLT3 P36888 2/20 0.44
EGFR P00533 2/20 0.43
MET P08581 1/20 0.41

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
SCHEMBL30833696 0.89 ALK (0.52) ALKFLT3MET
SCHEMBL30833656 0.85 ALK (0.48) ALKIGF1RFLT3
SCHEMBL29190714 0.85 ALK (0.61) ALKFLT3EGFRMET
SCHEMBL30833672 0.83 ALK (0.51) ALKIGF1REGFR
SCHEMBL30833757 0.83 ALK (0.47) ALKFLT3MET
SCHEMBL30833776 0.81 ALK (0.48) ALKFLT3MET
SCHEMBL30833718 0.81 JAK3 (0.47) ALKIGF1RFLT3EGFRMET
SCHEMBL30833724 0.81 ALK (0.52) ALKIGF1RFLT3EGFRMET
SCHEMBL29190530 0.80 ALK (0.61) ALKFLT3EGFRMET
SCHEMBL30833643 0.73 ALK (0.43) ALKMET

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