SCHEMBL30833735

SCHEMBL30833735

CN1CCN(c2cnc3cc(Nc4ncc(Br)c(Nc5ccccc5CN[SH](=O)=O)n4)ccc3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.52
FGFR1 P11362 1/20 0.43
FLT3 P36888 1/20 0.42
BTK Q06187 1/20 0.42
SRC P12931 1/20 0.42
MAP3K7 O43318 2/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 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
SCHEMBL30833637 0.91 MAP3K7 (0.53) EGFRFGFR1FLT3SRCMAP3K7
SCHEMBL30833800 0.88 MAP3K7 (0.53) EGFRFGFR1FLT3SRCMAP3K7
SCHEMBL30833668 0.86 EGFR (0.52) EGFRFGFR1FLT3BTKSRC
SCHEMBL29190583 0.84 EGFR (0.59) EGFRFLT3JAK2JAK3
SCHEMBL30833779 0.83 EGFR (0.48) EGFR
SCHEMBL30833768 0.80 ALK (0.46) EGFRJAK2JAK3
SCHEMBL29190630 0.77 EGFR (0.54) EGFRJAK2JAK3
SCHEMBL30833713 0.77 AXL (0.52) EGFRFGFR1FLT3SRCMAP3K7
SCHEMBL30833709 0.77 CDK1 (0.55) FLT3
SCHEMBL30833777 0.76 JAK3 (0.41) EGFRJAK2JAK3

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