SCHEMBL25229002

SCHEMBL25229002

COc1ccc(CNc2nccc3c2c(-c2ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc2)nn3[C@@H]2CCC[C@@H](NC(=O)OCc3ccccc3)C2)c(OC)c1.[N-]=[N+]=NP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.39

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
SCHEMBL25243525 0.94 BTK (0.38) BTK
SCHEMBL25649252 0.93 BTK (0.43) BTK
SCHEMBL30449124 0.93 BTK (0.43) BTK
SCHEMBL25226411 0.86 BTK (0.42) BTK
SCHEMBL25228011 0.85 BTK (0.41) BTK
SCHEMBL30449087 0.85 BTK (0.41) BTK
SCHEMBL25649225 0.84 BTK (0.41) BTK
SCHEMBL30449060 0.82 BTK (0.46) BTK
SCHEMBL30497648 0.82 BTK (0.46) BTK
SCHEMBL25228047 0.82 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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