SCHEMBL30760906

SCHEMBL30760906

CC(C)(C)OC(=O)N1CC[C@@H](n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)[C@H](F)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ EGFR P00533 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ HTR6 P50406 1/20 0.39
▸ PARP1 P09874 2/20 0.38
▸ PARP2 Q9UGN5 2/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ PIK3CD O00329 3/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ PTPRB P23467 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ STS P08842 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL30760762 1.00 JAK2 (0.44) JAK2JAK1EGFRSRCHTR6
SCHEMBL30760777 1.00 JAK2 (0.44) JAK2JAK1EGFRSRCHTR6
SCHEMBL30760907 1.00 JAK2 (0.44) JAK2JAK1EGFRSRCHTR6
SCHEMBL15711178 0.91 JAK2 (0.49) JAK2JAK1EGFRSRCHTR6
SCHEMBL15171143 0.91 JAK2 (0.49) JAK2JAK1EGFRSRCHTR6
SCHEMBL14797959 0.89 JAK1 (0.42) JAK2JAK1EGFRSRCHTR6
SCHEMBL31626148 0.89 JAK1 (0.42) JAK2JAK1EGFRSRCHTR6
SCHEMBL15171260 0.88 HTR6 (0.46) JAK2JAK1EGFRSRCHTR6
SCHEMBL16341186 0.88 HTR6 (0.46) JAK2JAK1EGFRSRCHTR6
SCHEMBL30760831 0.84 JAK2 (0.40) JAK2JAK1EGFRSRCHTR6

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-2024037527-A1 BTK DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-02-22 — — WO disclosed
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