SCHEMBL29922698

SCHEMBL29922698

COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1cnn(CC2CN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ KDM1A O60341 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ RORC P51449 2/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ PARG Q86W56 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ KAT6A Q92794 1/20 0.33
▸ KAT5 Q92993 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL28359021 1.00 TYK2 (0.36) TYK2JAK2JAK1JAK3KDM1A
SCHEMBL29552317 0.93 TYK2 (0.36) TYK2JAK2JAK1JAK3KDM1A
SCHEMBL28359374 0.92 JAK2 (0.44) TYK2JAK2JAK1JAK3KDM1A
SCHEMBL29552173 0.80 TYK2 (0.48) TYK2JAK2JAK1JAK3KDM1A
SCHEMBL28362626 0.79 JAK1 (0.49) TYK2JAK2JAK1JAK3RORC
SCHEMBL29922895 0.79 JAK3 (0.47) TYK2JAK2JAK1JAK3RORC
SCHEMBL28359056 0.79 JAK3 (0.47) TYK2JAK2JAK1JAK3RORC
SCHEMBL28362552 0.78 JAK2 (0.40) TYK2JAK2JAK1JAK3IRAK4
SCHEMBL29552783 0.78 JAK2 (0.40) TYK2JAK2JAK1JAK3IRAK4
SCHEMBL28359233 0.74 TYK2 (0.40) TYK2JAK2JAK1JAK3

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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