SCHEMBL29676604

SCHEMBL29676604

Cc1cc(-c2ccnc(Nc3cnn([C@@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4F)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.69
▸ CD69 Q07108 2/20 0.69
▸ JAK2 O60674 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ HRH2 P25021 1/20 0.69
▸ CDK7 P50613 1/20 0.69
▸ AAK1 Q2M2I8 1/20 0.69
▸ MAP3K19 Q56UN5 1/20 0.69
▸ CDKL2 Q92772 1/20 0.69
▸ RIOK1 Q9BRS2 1/20 0.69
▸ RIOK2 Q9BVS4 1/20 0.69
▸ BMP2K Q9NSY1 1/20 0.69

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
SCHEMBL18170423 1.00 BTK (0.69) BTKCD69JAK2CYP3A4HRH2
SCHEMBL16814196 1.00 BTK (0.69) BTKCD69JAK2CYP3A4HRH2
SCHEMBL16794465 0.91 BTK (0.73) BTKCD69JAK2CYP3A4HRH2
SCHEMBL18170531 0.90 BTK (0.76) BTKCD69JAK2CYP3A4HRH2
SCHEMBL18170530 0.90 BTK (0.76) BTKCD69JAK2CYP3A4HRH2
SCHEMBL16814059 0.90 BTK (0.76) BTKCD69JAK2CYP3A4HRH2
SCHEMBL18170384 0.86 BTK (0.73) BTKCD69JAK2CYP3A4HRH2
SCHEMBL16814058 0.86 BTK (0.73) BTKCD69JAK2CYP3A4HRH2
SCHEMBL18170385 0.86 BTK (0.73) BTKCD69JAK2CYP3A4HRH2
SCHEMBL20054068 0.83 BTK (0.62) BTKCD69JAK2CYP3A4HRH2

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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