SCHEMBL30833669

SCHEMBL30833669

Cc1[nH]nc2cc(Nc3ncc(Cl)c(Nc4ccccc4CN[SH](=O)=O)n3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.46
SYK P43405 2/20 0.46
FLT3 P36888 2/20 0.44
MET P08581 1/20 0.42
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CCNK O75909 2/20 0.42
CDK9 P50750 2/20 0.42
ULK1 O75385 1/20 0.42
CCND3 P30281 1/20 0.42
CDK6 Q00534 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
SCHEMBL30833661 0.85 ALK (0.46) ALKFLT3CCNA2CDK2CCNK
SCHEMBL30833776 0.85 ALK (0.48) ALKSYKFLT3MET
SCHEMBL30833785 0.84 ALK (0.51) ALKFLT3ULK1
SCHEMBL30833687 0.84 ALK (0.50) ALKFLT3METULK1
SCHEMBL29190563 0.83 ALK (0.64) ALKSYKFLT3MET
SCHEMBL30833790 0.83 IGF1R (0.44) ALK
SCHEMBL30833656 0.81 ALK (0.48) ALKFLT3
SCHEMBL30833700 0.81 KDR (0.52) ALKSYKFLT3METCDK2
SCHEMBL30833797 0.80 ALK (0.44) ALKFLT3
SCHEMBL30833783 0.78 SYK (0.47) ALKSYKFLT3METCCNA2

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