SCHEMBL25224513

SCHEMBL25224513

COc1ccc(CNc2ncc(I)c3c2c(-c2ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc2)nn3[C@@H]2CCCN(C(=O)O)C2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.51

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
SCHEMBL25649311 0.94 BTK (0.50) BTK
SCHEMBL30449342 0.94 BTK (0.50) BTK
SCHEMBL25277091 0.91 BTK (0.54) BTK
SCHEMBL21903677 0.90 BTK (0.47) BTK
SCHEMBL21903674 0.90 BTK (0.47) BTK
SCHEMBL25225388 0.90 BTK (0.45) BTK
SCHEMBL30449214 0.90 BTK (0.45) BTK
SCHEMBL25226368 0.89 BTK (0.44) BTK
SCHEMBL21903833 0.88 BTK (0.45) BTK
SCHEMBL21903831 0.88 BTK (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023110970-A1 MACROCYCLIC BTK INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 — — WO disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 — — WO disclosed
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