SCHEMBL30760781

SCHEMBL30760781

CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])[C@H](F)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ GPR119 Q8TDV5 10/20 0.41
▸ BTK Q06187 1/20 0.41
▸ NR1D1 P20393 2/20 0.40
▸ PTPRB P23467 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ STS P08842 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ SRC P12931 1/20 0.38

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
SCHEMBL30760857 1.00 JAK2 (0.43) JAK2JAK1GPR119BTKNR1D1
SCHEMBL30760807 1.00 JAK2 (0.43) JAK2JAK1GPR119BTKNR1D1
SCHEMBL30760825 1.00 JAK2 (0.43) JAK2JAK1GPR119BTKNR1D1
SCHEMBL15143897 0.89 BTK (0.52) JAK2JAK1GPR119BTKNR1D1
SCHEMBL15710604 0.89 BTK (0.52) JAK2JAK1GPR119BTKNR1D1
SCHEMBL30760904 0.88 JAK2 (0.45) JAK2JAK1GPR119BTKPTPRB
SCHEMBL30760877 0.88 JAK2 (0.45) JAK2JAK1GPR119BTKPTPRB
SCHEMBL30760937 0.88 JAK2 (0.45) JAK2JAK1GPR119BTKPTPRB
SCHEMBL30760770 0.88 JAK2 (0.45) JAK2JAK1GPR119BTKPTPRB
SCHEMBL15156453 0.86 BTK (0.47) JAK2JAK1GPR119BTKNR1D1

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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