SCHEMBL28536320

SCHEMBL28536320

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

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.83
EGFR P00533 16/20 0.83

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 1.00 BTK (0.83) BTKEGFR
SCHEMBL22442572 1.00 BTK (0.83) BTKEGFR
SCHEMBL29948723 1.00 BTK (0.83) BTKEGFR
SCHEMBL29948662 1.00 BTK (0.83) BTKEGFR
SCHEMBL21706936 0.91 BTK (1.00) BTKEGFR
SCHEMBL21707234 0.91 BTK (1.00) BTKEGFR
SCHEMBL21707075 0.89 BTK (1.00) BTKEGFR
SCHEMBL21707229 0.89 BTK (0.85) BTKEGFR
SCHEMBL21707237 0.88 BTK (1.00) BTKEGFR
SCHEMBL22222727 0.88 BTK (1.00) BTKEGFR

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 2 patents. 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
CN-112334469-A BTK inhibitor and pharmaceutically acceptable salt and polymorph thereof and application thereof 上海海雁医药科技有限公司 2021-02-05 CN disclosed