SCHEMBL24615517

SCHEMBL24615517

CC(C)(C)OC(=O)N1C2CCC1CN(c1ccnc3[nH]c(-c4ccnc(C#N)c4)nc13)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.44
▸ GPR119 Q8TDV5 7/20 0.44
▸ RET P07949 2/20 0.40
▸ HSD11B1 P28845 1/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ TBK1 Q9UHD2 2/20 0.36
▸ KCNK3 O14649 2/20 0.35
▸ KCNK9 Q9NPC2 2/20 0.35
▸ WDR5 P61964 1/20 0.35

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
SCHEMBL29772743 1.00 JAK1 (0.44) JAK1GPR119RETHSD11B1JAK2
SCHEMBL30669815 1.00 JAK1 (0.44) JAK1GPR119RETHSD11B1JAK2
SCHEMBL29772810 0.87 JAK1 (0.46) JAK1GPR119RETHSD11B1JAK2
SCHEMBL24615515 0.86 JAK1 (0.37) JAK1GPR119RETJAK2TYK2
SCHEMBL24615405 0.83 TYK2 (0.43) JAK1JAK2TYK2JAK3WDR5
SCHEMBL24615246 0.82 RET (0.46) JAK1GPR119RETJAK2TYK2
SCHEMBL30669773 0.82 RET (0.46) JAK1GPR119RETJAK2TYK2
SCHEMBL30669796 0.77 KIT (0.51) JAK1GPR119RETTBK1
SCHEMBL29772837 0.77 KIT (0.51) JAK1GPR119RETTBK1
SCHEMBL24615482 0.76 JAK1 (0.46) JAK1GPR119HSD11B1JAK2TYK2

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-2022150446-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2022-07-14 — — WO disclosed
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