SCHEMBL29410871

SCHEMBL29410871

C=CC(=O)Nc1cc(Nc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)ccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 1.00

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
SCHEMBL20578366 1.00 BTK (1.00) BTK
SCHEMBL29410864 0.91 BTK (0.84) BTK
SCHEMBL20578191 0.91 BTK (0.84) BTK
SCHEMBL20716520 0.90 BTK (1.00) BTK
SCHEMBL20716231 0.90 BTK (1.00) BTK
SCHEMBL20578278 0.89 BTK (0.80) BTK
SCHEMBL19230306 0.88 BTK (0.79) BTK
SCHEMBL20716471 0.88 BTK (1.00) BTK
SCHEMBL20716232 0.88 BTK (1.00) BTK
SCHEMBL29410874 0.88 BTK (1.00) BTK

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-107033069-B Novel irreversible Bruton's tyrosine kinase inhibitor 中国科学院合肥物质科学研究院 2022-03-04 CN disclosed