SCHEMBL29676659

SCHEMBL29676659

COCCn1cc(Nc2nccc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)N3CC(OC(C)(C)C)C3)n2)cn1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.69
▸ CD69 Q07108 10/20 0.69
▸ CYP2C9 P11712 4/20 0.59
▸ CYP3A4 P08684 3/20 0.58

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
SCHEMBL16814180 1.00 BTK (0.69) BTKCD69CYP2C9CYP3A4
SCHEMBL29676650 1.00 BTK (0.69) BTKCD69CYP2C9CYP3A4
SCHEMBL16794239 1.00 BTK (0.69) BTKCD69CYP2C9CYP3A4
SCHEMBL16814181 1.00 BTK (0.69) BTKCD69CYP2C9CYP3A4
SCHEMBL29676546 0.94 BTK (0.70) BTKCD69CYP2C9CYP3A4
SCHEMBL16794481 0.94 BTK (0.70) BTKCD69CYP2C9CYP3A4
SCHEMBL16793902 0.94 BTK (0.70) BTKCD69CYP2C9CYP3A4
SCHEMBL16814200 0.94 BTK (0.70) BTKCD69CYP2C9CYP3A4
SCHEMBL29918730 0.94 BTK (0.70) BTKCD69CYP2C9CYP3A4
SCHEMBL16793950 0.93 BTK (0.66) BTKCD69CYP2C9CYP3A4

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
CN-109096274-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2022-07-01 — — CN disclosed
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