SCHEMBL25277943

SCHEMBL25277943

C=CCCCCNC(=O)[C@@H]1CCC[C@@H](n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(NCc4ccc(OC)cc4OC)ncc(CC=C)c32)C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.39
▸ CCRL2 O00421 1/20 0.36

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
SCHEMBL31512219 0.99 BTK (0.39) BTKCCRL2
SCHEMBL30497630 0.92 BTK (0.43) BTK
SCHEMBL25270482 0.92 BTK (0.43) BTK
SCHEMBL25649350 0.89 BTK (0.43) BTK
SCHEMBL31125766 0.89 BTK (0.41) BTK
SCHEMBL25649351 0.89 BTK (0.39) BTKCCRL2
SCHEMBL30449214 0.83 BTK (0.45) BTK
SCHEMBL25225388 0.83 BTK (0.45) BTK
SCHEMBL25226050 0.83 BTK (0.39) BTK
SCHEMBL30449777 0.83 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 3 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
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE 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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