SCHEMBL30833668

SCHEMBL30833668

CN1CCN(c2cnc3cc(Nc4ncc(Br)c(Nc5ccccc5CS(N)(=O)=O)n4)ccc3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.52
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
FLT3 P36888 2/20 0.44
BTK Q06187 2/20 0.44
ALK Q9UM73 1/20 0.43
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.42
BRD4 O60885 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
SCHEMBL30833713 0.91 AXL (0.52) EGFRFLT3ALKFGFR1SRC
SCHEMBL30833720 0.88 AXL (0.52) EGFRFLT3ALKFGFR1SRC
SCHEMBL30833735 0.86 EGFR (0.52) EGFRJAK2JAK3FLT3BTK
SCHEMBL29190583 0.86 EGFR (0.59) EGFRJAK2JAK3FLT3ALK
SCHEMBL30833786 0.83 EGFR (0.48) EGFRJAK2JAK3FLT3BTK
SCHEMBL30833734 0.80 ALK (0.49) EGFRJAK2JAK3FLT3BTK
SCHEMBL30833637 0.77 MAP3K7 (0.53) EGFRFLT3ALKFGFR1SRC
SCHEMBL30833742 0.76 IGF1R (0.43) EGFRJAK2JAK3FLT3BTK
SCHEMBL30833660 0.76 ALK (0.43) EGFRJAK2JAK3FLT3BTK
SCHEMBL29190637 0.76 ALK (0.65) EGFRFLT3ALKFGFR1SRC

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