SCHEMBL30636228

SCHEMBL30636228

[2H]C([2H])([2H])NC(=O)c1cnccc1Nc1cc(F)cc(-c2ncc(F)cn2)c1OC

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.61
▸ JAK1 P23458 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NUDT1 P36639 1/20 0.44
▸ UGT1A1 P22309 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL30466384 0.89 TYK2 (0.67) TYK2JAK1CYP2C19
SCHEMBL30963333 0.87 TYK2 (0.56) TYK2JAK1KCNH2
SCHEMBL30385380 0.85 TYK2 (0.45) TYK2JAK1CYP2C19NUDT1
SCHEMBL30636414 0.85 TYK2 (0.61) TYK2JAK1CYP2C19
SCHEMBL31218707 0.82 TYK2 (0.57) TYK2JAK1CYP2C19NUDT1KCNH2
SCHEMBL30636204 0.82 TYK2 (0.57) TYK2JAK1CYP2C19NUDT1KCNH2
SCHEMBL28975902 0.80 TYK2 (0.72) TYK2JAK1CYP2C19KCNH2
SCHEMBL30227455 0.80 TYK2 (0.72) TYK2JAK1CYP2C19KCNH2
SCHEMBL30490067 0.80 TYK2 (0.44) TYK2JAK1CYP2C19NUDT1
SCHEMBL30490075 0.79 TYK2 (0.51) TYK2JAK1CYP2C19NUDT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213308-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 苏州隆博泰药业有限公司 2023-11-09 — — WO claimed
WO-2023213308-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 苏州隆博泰药业有限公司 2023-11-09 — — WO disclosed
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