SCHEMBL29922842

SCHEMBL29922842

NC(=O)c1nncc(-c2c(F)cccc2F)c1Nc1ccc(N2CCOCC2=O)cn1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.69
▸ JAK2 O60674 4/20 0.69
▸ JAK1 P23458 4/20 0.69
▸ JAK3 P52333 4/20 0.69
▸ LRRK2 Q5S007 3/20 0.41
▸ PTGS2 P35354 1/20 0.37
▸ MTOR P42345 2/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ PIK3CD O00329 1/20 0.34

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
SCHEMBL29922585 0.90 TYK2 (0.58) TYK2JAK2JAK1JAK3LRRK2
SCHEMBL29922737 0.87 TYK2 (0.67) TYK2JAK2JAK1JAK3LRRK2
SCHEMBL29922670 0.85 TYK2 (0.50) TYK2JAK2JAK1JAK3CDK4
SCHEMBL28884122 0.82 TYK2 (1.00) TYK2JAK2JAK1JAK3LRRK2
SCHEMBL29922578 0.79 TYK2 (0.58) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL29922509 0.78 TYK2 (0.52) TYK2JAK2JAK1JAK3LRRK2
SCHEMBL29552223 0.76 TYK2 (0.86) TYK2JAK2JAK1JAK3
SCHEMBL28359052 0.74 TYK2 (0.82) TYK2JAK2JAK1JAK3MTOR
SCHEMBL29922801 0.73 RAB9A (0.54) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL29922505 0.73 JAK2 (0.46) TYK2JAK2JAK1JAK3LRRK2

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
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
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