SCHEMBL20054059

SCHEMBL20054059

CC(C)(C)n1cc(C(=O)NCc2ccc(-c3ccnc(Cl)n3)cc2CC(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.40
▸ KLKB1 P03952 6/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL16794185 0.89 BTK (0.44) BTKKLKB1HPGDAAK1
SCHEMBL25173924 0.88 BTK (0.52) BTKKLKB1AAK1
SCHEMBL20054061 0.79 BTK (0.52) BTKAAK1
SCHEMBL25173694 0.77 BTK (0.46) BTK
SCHEMBL16794278 0.74 BTK (0.62) BTKAAK1
SCHEMBL30913578 0.74 BTK (0.56) BTKKLKB1
SCHEMBL25173782 0.74 BTK (0.56) BTKKLKB1
SCHEMBL29676565 0.73 BTK (0.65) BTKAAK1
SCHEMBL16794335 0.73 BTK (0.60) BTKAAK1
SCHEMBL16794097 0.73 BTK (0.65) BTKAAK1

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-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 — — EP disclosed
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