SCHEMBL29676701

SCHEMBL29676701

Cc1cc(-c2ccnc(Nc3c(C)nn(C)c3C)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.76
▸ JAK2 O60674 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CD69 Q07108 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42
▸ MAP3K19 Q56UN5 1/20 0.42
▸ CDKL2 Q92772 1/20 0.42
▸ RIOK1 Q9BRS2 1/20 0.42
▸ RIOK2 Q9BVS4 1/20 0.42
▸ BMP2K Q9NSY1 1/20 0.42
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL16794463 1.00 BTK (0.76) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794137 0.88 BTK (0.76) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794161 0.87 BTK (0.77) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL29676626 0.87 BTK (0.77) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20026920 0.86 BTK (1.00) BTK
SCHEMBL16793893 0.85 BTK (0.80) BTK
SCHEMBL16794215 0.85 BTK (1.00) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL29676595 0.85 BTK (1.00) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794144 0.84 BTK (1.00) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794341 0.84 BTK (0.77) BTKJAK2CYP3A4HRH2CDK7

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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