SCHEMBL29948930

SCHEMBL29948930

C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3ccc(N4CCOCC4)cc3F)c3c(c2F)CNC3)C1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.67
EGFR P00533 12/20 0.64
JAK3 P52333 3/20 0.54
BMX P51813 1/20 0.49

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
SCHEMBL21707226 0.88 BTK (0.83) BTKEGFR
SCHEMBL29948723 0.88 BTK (0.83) BTKEGFR
SCHEMBL22442572 0.88 BTK (0.83) BTKEGFR
SCHEMBL29948662 0.88 BTK (0.83) BTKEGFR
SCHEMBL28536320 0.88 BTK (0.83) BTKEGFR
SCHEMBL28551060 0.87 BTK (0.62) BTKEGFRJAK3BMX
SCHEMBL28551061 0.87 BTK (0.62) BTKEGFRJAK3BMX
SCHEMBL23645440 0.83 BTK (0.63) BTKEGFRJAK3BMX
SCHEMBL23645394 0.83 BTK (0.63) BTKEGFRJAK3BMX
SCHEMBL22496624 0.80 BTK (1.00) BTKJAK3

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-112334469-B BTK inhibitor and pharmaceutically acceptable salt and polymorph thereof and application thereof 上海海雁医药科技有限公司 2022-10-04 CN disclosed