SCHEMBL29922746

SCHEMBL29922746

COC(=O)c1nnc(-c2c(F)cccc2Cl)cc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.81
▸ JAK2 O60674 5/20 0.81
▸ JAK1 P23458 5/20 0.81
▸ JAK3 P52333 5/20 0.81
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ DGAT1 O75907 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ LCK P06239 4/20 0.42
▸ FGFR1 P11362 2/20 0.42
▸ SRC P12931 2/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ PKMYT1 Q99640 1/20 0.42
▸ MEN1 O00255 2/20 0.42

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
SCHEMBL28359040 1.00 TYK2 (0.81) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL29552183 0.90 TYK2 (0.85) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL28359087 0.89 TYK2 (1.00) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL29922629 0.89 TYK2 (0.64) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL28359080 0.89 TYK2 (0.64) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL28362763 0.83 JAK2 (0.59) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL29922544 0.83 JAK2 (0.59) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL29552247 0.82 TYK2 (0.56) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL29922630 0.82 TYK2 (0.54) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL29922581 0.81 JAK2 (0.52) TYK2JAK2JAK1JAK3GAA

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
Send feedback