SCHEMBL29552283

SCHEMBL29552283

CC(C)(C)OC(=O)N1Cc2ccc(Nc3cc(-c4c(F)cccc4F)nnc3C(N)=O)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.49
▸ JAK1 P23458 6/20 0.49
▸ JAK3 P52333 5/20 0.49
▸ TYK2 P29597 3/20 0.49
▸ ROCK2 O75116 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ ESR2 Q92731 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ PTK2 Q05397 2/20 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
SCHEMBL28359058 1.00 JAK2 (0.49) JAK2JAK1JAK3TYK2ROCK2
SCHEMBL29922752 1.00 JAK2 (0.49) JAK2JAK1JAK3TYK2ROCK2
SCHEMBL29552783 0.91 JAK2 (0.40) JAK2JAK1JAK3TYK2ROCK2
SCHEMBL28362552 0.91 JAK2 (0.40) JAK2JAK1JAK3TYK2ROCK2
SCHEMBL29552965 0.86 TYK2 (0.54) JAK2JAK1JAK3TYK2
SCHEMBL28358955 0.85 JAK2 (0.57) JAK2JAK1JAK3TYK2
SCHEMBL28362574 0.84 JAK2 (0.49) JAK2JAK1JAK3TYK2PTK2
SCHEMBL28362644 0.80 JAK2 (0.52) JAK2JAK1JAK3TYK2
SCHEMBL29552483 0.80 JAK2 (0.52) JAK2JAK1JAK3TYK2
SCHEMBL29551854 0.79 JAK1 (0.47) JAK2JAK1JAK3TYK2NPC1

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-2022032484-A1 PYRIDAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2022-02-17 — — WO disclosed
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