SCHEMBL30833757

SCHEMBL30833757

Cc1n[nH]c2ccc(Nc3ncc(Cl)c(Nc4ccccc4CS(N)(=O)=O)n3)cc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.47
ULK1 O75385 1/20 0.46
MET P08581 3/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
FLT3 P36888 2/20 0.44
CCNK O75909 1/20 0.43
CCND3 P30281 1/20 0.43
CDK9 P50750 1/20 0.43
CDK6 Q00534 1/20 0.43
PTK2 Q05397 1/20 0.43

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
SCHEMBL30833764 0.90 IGF1R (0.45) ALKULK1METCDK2FLT3
SCHEMBL30833702 0.88 PTK2 (0.46) ULK1CDK2CDK9PTK2
SCHEMBL30833696 0.86 ALK (0.52) ALKULK1METFLT3PTK2
SCHEMBL30833661 0.85 ALK (0.46) ALKULK1CCNA2CDK2FLT3
SCHEMBL30833776 0.85 ALK (0.48) ALKMETFLT3PTK2
SCHEMBL29190632 0.84 ALK (0.63) ALKULK1METFLT3PTK2
SCHEMBL30833724 0.84 ALK (0.52) ALKULK1METCDK2FLT3
SCHEMBL30833666 0.83 ALK (0.49) ALKMETFLT3
SCHEMBL30833718 0.81 JAK3 (0.47) ALKMETCDK2FLT3PTK2
SCHEMBL30833714 0.78 ALK (0.46) ALKULK1METCDK2FLT3

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