SCHEMBL30833656

SCHEMBL30833656

O=[SH](=O)NCc1ccccc1Nc1nc(Nc2ccc3c(C4CC4)n[nH]c3c2)ncc1Cl

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.48
IGF1R P08069 3/20 0.46
FLT3 P36888 2/20 0.42
AXL P30530 2/20 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
SCHEMBL30833785 0.89 ALK (0.51) ALKIGF1RFLT3
SCHEMBL30833687 0.88 ALK (0.50) ALKFLT3
SCHEMBL30833666 0.85 ALK (0.49) ALKIGF1RFLT3
SCHEMBL29190714 0.84 ALK (0.61) ALKFLT3
SCHEMBL30833699 0.83 EGFR (0.49) ALKIGF1RAXL
SCHEMBL30833661 0.83 ALK (0.46) ALKIGF1RFLT3AXL
SCHEMBL30833669 0.81 ALK (0.46) ALKFLT3
SCHEMBL30833797 0.81 ALK (0.44) ALKIGF1RFLT3
SCHEMBL30833700 0.81 KDR (0.52) ALKIGF1RFLT3
SCHEMBL29190530 0.79 ALK (0.61) ALKFLT3

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