SCHEMBL30449214

SCHEMBL30449214

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

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.45

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
SCHEMBL25225388 1.00 BTK (0.45) BTK
SCHEMBL25226368 0.93 BTK (0.44) BTK
SCHEMBL30497630 0.91 BTK (0.43) BTK
SCHEMBL25270482 0.91 BTK (0.43) BTK
SCHEMBL30449060 0.91 BTK (0.46) BTK
SCHEMBL30497648 0.91 BTK (0.46) BTK
SCHEMBL25228047 0.91 BTK (0.46) BTK
SCHEMBL25240799 0.91 BTK (0.46) BTK
SCHEMBL25224513 0.90 BTK (0.51) BTK
SCHEMBL25649227 0.89 BTK (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448521-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 — — EP disclosed
EP-4448523-A1 MACROCYCLIC BTK INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 — — EP disclosed
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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