Sugi Predict

Sugi Predict / Compounds / SCHEMBL29676595

SCHEMBL29676595

SCHEMBL29676595

Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 1.00
▸ JAK2 O60674 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ HRH2 P25021 1/20 0.60
▸ CDK7 P50613 1/20 0.60
▸ CD69 Q07108 1/20 0.60
▸ AAK1 Q2M2I8 1/20 0.60
▸ MAP3K19 Q56UN5 1/20 0.60
▸ CDKL2 Q92772 1/20 0.60
▸ RIOK1 Q9BRS2 1/20 0.60
▸ RIOK2 Q9BVS4 1/20 0.60
▸ BMP2K Q9NSY1 1/20 0.60

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
SCHEMBL16794215 1.00 BTK (1.00) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16793917 0.93 BTK (0.87) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL29676770 0.91 BTK (0.84) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16814035 0.91 BTK (0.84) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16793903 0.91 BTK (0.83) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794423 0.91 BTK (0.83) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794361 0.90 BTK (0.82) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794228 0.90 BTK (0.82) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL18170416 0.90 BTK (0.82) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794244 0.90 BTK (0.81) 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
Send feedback