SCHEMBL30913584

SCHEMBL30913584

Cc1cc(NC(=O)N2CC(OC(C)C)C2)cc(-c2ccnc(Cl)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.46
▸ CD69 Q07108 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ CDK7 P50613 1/20 0.45
▸ AAK1 Q2M2I8 1/20 0.45
▸ MAP3K19 Q56UN5 1/20 0.45
▸ CDKL2 Q92772 1/20 0.45
▸ RIOK1 Q9BRS2 1/20 0.45
▸ RIOK2 Q9BVS4 1/20 0.45
▸ BMP2K Q9NSY1 1/20 0.45
▸ TRPV1 Q8NER1 7/20 0.38
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL25167752 1.00 BTK (0.46) BTKCD69JAK2CYP3A4HRH2
SCHEMBL30913579 0.84 BTK (0.52) BTKCD69JAK2CYP3A4HRH2
SCHEMBL25176696 0.84 BTK (0.52) BTKCD69JAK2CYP3A4HRH2
SCHEMBL25584105 0.82 BTK (0.38) BTKCD69JAK2CYP3A4HRH2
SCHEMBL25169911 0.78 BTK (0.49) BTKCD69JAK2CYP3A4HRH2
SCHEMBL30434223 0.78 BTK (0.49) BTKCD69JAK2CYP3A4HRH2
SCHEMBL16794224 0.77 BTK (0.69) BTKCD69JAK2CYP3A4HRH2
SCHEMBL29676750 0.77 BTK (0.69) BTKCD69JAK2CYP3A4HRH2
SCHEMBL25169920 0.72 BTK (0.51) BTKCD69JAK2CYP3A4HRH2
SCHEMBL16794214 0.72 BTK (0.71) BTKCD69CYP3A4

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-118159532-A Compound with BTK protein degradation activity and medical application thereof 尤比克斯治疗公司 2024-06-07 — — CN disclosed
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