SCHEMBL25277091

SCHEMBL25277091

COc1ccc(CNc2nccc3c2c(-c2ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc2)nn3[C@@H]2CCCN(C(=O)O)C2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.54

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
SCHEMBL25649310 0.93 BTK (0.53) BTK
SCHEMBL30449053 0.93 BTK (0.53) BTK
SCHEMBL25224513 0.91 BTK (0.51) BTK
SCHEMBL21903559 0.90 BTK (0.51) BTK
SCHEMBL21903653 0.90 BTK (0.51) BTK
SCHEMBL21903564 0.90 BTK (0.51) BTK
SCHEMBL30497654 0.90 BTK (0.50) BTK
SCHEMBL25240799 0.89 BTK (0.46) BTK
SCHEMBL25228047 0.89 BTK (0.46) BTK
SCHEMBL30497648 0.89 BTK (0.46) 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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