SCHEMBL25075340

SCHEMBL25075340

Cc1c(N)ncnc1NCC1CCC(C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
FFAR2 O15552 1/20 0.35
CHRM4 P08173 1/20 0.35
LRRK2 Q5S007 1/20 0.35
PDE10A Q9Y233 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
KHK P50053 2/20 0.34
PIK3CD O00329 1/20 0.34
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL26493919 0.86 BTK (0.36) BTKJAK2JAK1FFAR2LRRK2
SCHEMBL3533630 0.78 JAK2 (0.52) JAK2JAK1
SCHEMBL19004855 0.71 BTK (0.40) BTKJAK2JAK1FFAR2PDE10A
SCHEMBL26496338 0.70 USP7 (0.41) BTKJAK2JAK1FFAR2LRRK2
SCHEMBL21416115 0.69 KDM4E (0.41) FFAR2MAP4K4ADORA2A
SCHEMBL26493925 0.68 BTK (0.41) BTKKHK
SCHEMBL12590817 0.66 RAB9A (0.48) JAK2JAK1FFAR2CHRM4PDE10A
SCHEMBL30977957 0.64 LRRK2 (0.41) BTKJAK2JAK1CHRM4LRRK2
SCHEMBL12561873 0.64 JAK2 (0.61) JAK2JAK1CSF1R
SCHEMBL14241098 0.64 AURKA (0.49) JAK2JAK1FFAR2CHRM4STK4

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
WO-2023023537-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. (US) 2023-02-23 WO disclosed