SCHEMBL20998681

SCHEMBL20998681

CC(C)(C)OC(=O)NC1CCN(c2ncc(C(N)=O)c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)C1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.75
▸ CAMK1D Q8IU85 2/20 0.55
▸ EGFR P00533 1/20 0.54
▸ JAK3 P52333 1/20 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
SCHEMBL18069917 1.00 BTK (0.75) BTKCAMK1DEGFRJAK3
SCHEMBL16676700 0.87 BTK (0.57) BTKEGFRJAK3
SCHEMBL20998689 0.87 BTK (0.57) BTKEGFRJAK3
SCHEMBL18044979 0.86 BTK (0.60) BTKCAMK1DEGFRJAK3
SCHEMBL18044980 0.86 BTK (0.60) BTKCAMK1DEGFRJAK3
SCHEMBL16676819 0.85 BTK (1.00) BTKCAMK1D
SCHEMBL18044961 0.85 BTK (1.00) BTKCAMK1D
SCHEMBL30020786 0.85 CAMK1D (0.73) BTKCAMK1D
SCHEMBL18068375 0.85 BTK (0.74) BTKCAMK1D
SCHEMBL30022498 0.84 CAMK1D (0.75) BTKCAMK1DEGFR

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
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 — — EP disclosed
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