SCHEMBL29551876

SCHEMBL29551876

NC(=O)c1nnc(-c2c(F)cccc2Cl)cc1Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 8/20 0.66
▸ JAK2 O60674 6/20 0.66
▸ JAK1 P23458 6/20 0.66
▸ JAK3 P52333 6/20 0.66
▸ PDE4B Q07343 2/20 0.42
▸ EGFR P00533 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ABCB11 O95342 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37

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
SCHEMBL28359071 1.00 TYK2 (0.66) TYK2JAK2JAK1JAK3PDE4B
SCHEMBL29551923 0.93 TYK2 (0.55) TYK2JAK2JAK1JAK3PDE4B
SCHEMBL28884120 0.93 TYK2 (0.55) TYK2JAK2JAK1JAK3PDE4B
SCHEMBL29551995 0.87 JAK2 (0.69) TYK2JAK2JAK1JAK3EGFR
SCHEMBL28359167 0.87 JAK2 (0.69) TYK2JAK2JAK1JAK3EGFR
SCHEMBL28359283 0.83 JAK2 (0.64) TYK2JAK2JAK1JAK3PDE4B
SCHEMBL29552138 0.83 JAK2 (0.64) TYK2JAK2JAK1JAK3PDE4B
SCHEMBL28359124 0.82 JAK2 (0.66) TYK2JAK2JAK1JAK3PDE4B
SCHEMBL29551888 0.81 JAK2 (0.59) TYK2JAK2JAK1JAK3PDE4B
SCHEMBL29552249 0.79 TYK2 (0.58) TYK2JAK2JAK1JAK3AURKA

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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