SCHEMBL29064221

SCHEMBL29064221

COCc1c(I)c2c(Cl)ncnc2n1CC1CCCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.34
LCK P06239 8/20 0.34
EGFR P00533 7/20 0.34
ITK Q08881 6/20 0.34
JAK3 P52333 2/20 0.33
ADK P55263 1/20 0.32
KDR P35968 1/20 0.32
TEK Q02763 1/20 0.32

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
SCHEMBL29064219 1.00 BTK (0.34) BTKLCKEGFRITKJAK3
SCHEMBL28097469 0.85 BTK (0.39) BTKLCKEGFRITKJAK3
SCHEMBL29064397 0.76 BTK (0.39) BTKLCKEGFRITKJAK3
SCHEMBL29064399 0.76 BTK (0.39) BTKLCKEGFRITKJAK3
SCHEMBL15516738 0.74 PDE8B (0.40) BTK
SCHEMBL15516736 0.74 PDE8B (0.40) BTK
SCHEMBL13860102 0.74 HRH3 (0.35) BTKLCKEGFRITKJAK3
SCHEMBL15562988 0.72 BTK (0.37) BTKLCKEGFRITKJAK3
SCHEMBL29063731 0.72 FGFR2 (0.45) BTKKDR
SCHEMBL29063726 0.72 FGFR2 (0.45) BTKKDR

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-116514806-A Biological inhibitor containing acrylketone, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-08-01 CN disclosed