SCHEMBL20461159

SCHEMBL20461159

CC(C)(C)C1CCN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.56
▸ CD69 Q07108 2/20 0.56
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BDKRB1 P46663 10/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ CCR2 P41597 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL29676859 1.00 BTK (0.56) BTKCD69LMNAKMT2ABDKRB1
SCHEMBL16794448 1.00 BTK (0.56) BTKCD69LMNAKMT2ABDKRB1
SCHEMBL16794009 0.84 BTK (0.56) BTKCD69LMNAKMT2ACCR2
SCHEMBL29676706 0.84 BTK (0.56) BTKCD69LMNAKMT2ACCR2
SCHEMBL16794071 0.82 BTK (0.43) BTKCD69LMNAKMT2ABDKRB1
SCHEMBL16794065 0.79 BTK (0.71) BTKCD69
SCHEMBL29676632 0.78 BTK (0.56) BTKCD69LMNAKMT2ACCR2
SCHEMBL16794208 0.78 BTK (0.56) BTKCD69LMNAKMT2ACCR2
SCHEMBL20461142 0.78 BTK (0.41) BTKCD69LMNAKMT2ABDKRB1
SCHEMBL20461119 0.76 BTK (0.46) BTKCD69KMT2ABDKRB1

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-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 — — EP disclosed
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