SCHEMBL28125942

SCHEMBL28125942

CC(C)(C)OC1CN(C(=O)NCc2cc[c]cc2C(F)(F)F)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.54
▸ EPHX2 P34913 5/20 0.40
▸ P2RX7 Q99572 6/20 0.37
▸ TPSAB1 Q15661 1/20 0.35
▸ TPSD1 Q9BZJ3 1/20 0.35
▸ TPSG1 Q9NRR2 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ RBP4 P02753 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ RORC P51449 1/20 0.34

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
SCHEMBL16794015 0.81 BTK (0.60) BTKEPHX2P2RX7
SCHEMBL18183922 0.75 BTK (0.54) BTKEPHX2P2RX7
SCHEMBL16793886 0.72 BTK (0.66) BTKEPHX2P2RX7
SCHEMBL24426173 0.72 BTK (0.69) BTKEPHX2P2RX7
SCHEMBL19876260 0.70 BTK (1.00) BTKEPHX2P2RX7
SCHEMBL16793935 0.70 BTK (0.47) BTKEPHX2P2RX7CYP2C9CHRNA7
SCHEMBL17663698 0.68 KMT2A (0.50) BTKCHRNA7
SCHEMBL19892033 0.67 BTK (0.37) BTKTPSAB1TPSD1TPSG1RBP4
SCHEMBL31716905 0.65 EPHX2 (0.62) BTKEPHX2
SCHEMBL19886208 0.65 BTK (0.36) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096274-A It can be used for treating the aryl-linking compound of human tumor, neurology and amynologic disease 比奥根MA公司 2018-12-28 — — CN disclosed
CN-108947913-A It can be used for treating the aryl-linking compound of human tumor, neurology and amynologic disease 比奥根MA公司 2018-12-07 — — CN disclosed
CN-106459002-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2018-08-21 — — CN disclosed
CN-106459002-A Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2017-02-22 — — CN disclosed
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