SCHEMBL29552783

SCHEMBL29552783

COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.40
▸ JAK3 P52333 5/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PTK2 Q05397 3/20 0.37
▸ TNF P01375 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ NAMPT P43490 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NR1H2 P55055 1/20 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
SCHEMBL28362552 1.00 JAK2 (0.40) JAK2JAK3JAK1TYK2ROCK2
SCHEMBL29922752 0.91 JAK2 (0.49) JAK2JAK3JAK1TYK2ROCK2
SCHEMBL29552283 0.91 JAK2 (0.49) JAK2JAK3JAK1TYK2ROCK2
SCHEMBL28359058 0.91 JAK2 (0.49) JAK2JAK3JAK1TYK2ROCK2
SCHEMBL29551804 0.88 JAK2 (0.42) JAK2JAK3JAK1TYK2MAPK14
SCHEMBL28358866 0.84 JAK2 (0.40) JAK2JAK3JAK1TYK2PTK2
SCHEMBL29922644 0.83 HDAC1 (0.43) JAK2JAK3ROCK2HDAC1PIK3CA
SCHEMBL28362559 0.83 HDAC1 (0.43) JAK2JAK3ROCK2HDAC1PIK3CA
SCHEMBL29552248 0.80 ABCB1 (0.41) JAK2JAK3JAK1TYK2NPC1
SCHEMBL29922466 0.80 ABCB1 (0.41) JAK2JAK3JAK1TYK2NPC1

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
CN-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 — — CN disclosed
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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