SCHEMBL30433480

SCHEMBL30433480

Cc1cc(-c2ccnc(Nc3ccc(N4CCC(CN5CCNCC5)CC4)cc3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.65
▸ JAK2 O60674 7/20 0.65
▸ CD69 Q07108 2/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ HRH2 P25021 1/20 0.65
▸ CDK7 P50613 1/20 0.65
▸ AAK1 Q2M2I8 1/20 0.65
▸ MAP3K19 Q56UN5 1/20 0.65
▸ CDKL2 Q92772 1/20 0.65
▸ RIOK1 Q9BRS2 1/20 0.65
▸ RIOK2 Q9BVS4 1/20 0.65
▸ BMP2K Q9NSY1 1/20 0.65
▸ JAK3 P52333 5/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ MYLK4 Q86YV6 1/20 0.41
▸ STK17A Q9UEE5 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
SCHEMBL25170629 1.00 BTK (0.65) BTKJAK2CD69CYP3A4HRH2
SCHEMBL25176460 0.95 BTK (0.65) BTKJAK2CD69CYP3A4HRH2
SCHEMBL25173714 0.95 BTK (0.66) BTKJAK2CD69CYP3A4HRH2
SCHEMBL25169912 0.94 BTK (0.71) BTKJAK2CD69CYP3A4HRH2
SCHEMBL30434060 0.94 BTK (0.71) BTKJAK2CD69CYP3A4HRH2
SCHEMBL25176776 0.92 BTK (0.67) BTKJAK2CD69CYP3A4HRH2
SCHEMBL25173774 0.90 BTK (0.63) BTKJAK2CD69CYP3A4HRH2
SCHEMBL25176697 0.90 BTK (0.61) BTKJAK2CD69CYP3A4HRH2
SCHEMBL31169609 0.90 BTK (0.61) BTKJAK2CD69CYP3A4HRH2
SCHEMBL25170717 0.90 BTK (0.63) BTKJAK2CD69CYP3A4HRH2

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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