SCHEMBL29552183

SCHEMBL29552183

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

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.85
▸ JAK2 O60674 5/20 0.85
▸ JAK1 P23458 5/20 0.85
▸ JAK3 P52333 5/20 0.85
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ DGAT1 O75907 1/20 0.43
▸ FGFR1 P11362 2/20 0.42
▸ SRC P12931 2/20 0.42
▸ LCK P06239 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

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
SCHEMBL28359087 0.92 TYK2 (1.00) TYK2JAK2JAK1JAK3AURKA
SCHEMBL28359040 0.90 TYK2 (0.81) TYK2JAK2JAK1JAK3KDM4E
SCHEMBL29922746 0.90 TYK2 (0.81) TYK2JAK2JAK1JAK3KDM4E
SCHEMBL29551892 0.88 TYK2 (0.67) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL29552228 0.82 TYK2 (0.61) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL29551800 0.81 TYK2 (0.58) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL28359245 0.81 TYK2 (0.85) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL28884127 0.80 TYK2 (0.79) TYK2JAK2JAK1JAK3ALDH1A1
SCHEMBL29552398 0.80 JAK2 (0.54) TYK2JAK2JAK1JAK3KDM4E
SCHEMBL29552110 0.80 JAK2 (0.55) TYK2JAK2JAK1JAK3ALDH1A1

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
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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