SCHEMBL25284154

SCHEMBL25284154

COc1ccc(CNc2nccc3c2c(-c2ccc(CNC(=O)c4cc(F)ccc4OC)cc2)nn3[C@@H]2CCC[C@@H](NC(=O)O)C2)c(OC)c1.COc1ccc(CNc2nccc3c2c(I)nn3[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.46
▸ BTK Q06187 11/20 0.46

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
SCHEMBL30449270 0.98 EGFR (0.48) EGFRBTK
SCHEMBL25277694 0.95 EGFR (0.51) EGFRBTK
SCHEMBL30449101 0.95 EGFR (0.51) EGFRBTK
SCHEMBL25230192 0.93 EGFR (0.53) EGFRBTK
SCHEMBL25284153 0.91 EGFR (0.44) EGFRBTK
SCHEMBL30449840 0.85 KMT2A (0.40) BTK
SCHEMBL25228606 0.85 KMT2A (0.40) BTK
SCHEMBL25269942 0.81 EGFR (0.54) EGFRBTK
SCHEMBL28710291 0.81 EGFR (0.54) EGFRBTK
SCHEMBL25269684 0.81 EGFR (0.55) EGFRBTK

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 1 patent. 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
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