SCHEMBL30963333

SCHEMBL30963333

[2H]C([2H])([2H])NC(=O)c1cnccc1Nc1cc(F)cc(-c2ncn(C)n2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.56
▸ JAK1 P23458 7/20 0.56
▸ KCNH2 Q12809 3/20 0.51
▸ STAT3 P40763 2/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ BMPR2 Q13873 1/20 0.51

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
SCHEMBL30963331 0.88 TYK2 (0.68) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL30636228 0.87 TYK2 (0.61) TYK2JAK1KCNH2
SCHEMBL30385114 0.86 TYK2 (0.58) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL30963334 0.84 TYK2 (0.58) TYK2JAK1STAT3JAK2STAT1
SCHEMBL30385234 0.84 TYK2 (0.62) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL30385236 0.80 TYK2 (0.63) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL30963332 0.79 TYK2 (0.59) TYK2JAK1STAT3JAK2STAT1
SCHEMBL29362041 0.78 TYK2 (0.80) TYK2JAK1STAT3JAK2STAT1
SCHEMBL30466384 0.77 TYK2 (0.67) TYK2JAK1STAT3
SCHEMBL29684670 0.76 TYK2 (0.43) TYK2JAK1KCNH2JAK2JAK3

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-2024125651-A1 NOVEL ACRYLIC ACID DERIVATIVE WITH HETEROCYCLE SUBSTITUTION AND USE THEREOF 津药生物科技(天津)有限公司 2024-06-20 — — WO disclosed
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