SCHEMBL29551761

SCHEMBL29551761

CN1CCN(c2ccc(Nc3cc(-c4c(F)cccc4Cl)nnc3C(=O)O)cc2)C(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.57
▸ JAK2 O60674 5/20 0.57
▸ JAK1 P23458 4/20 0.57
▸ JAK3 P52333 4/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KLKB1 P03952 2/20 0.36
▸ F11 P03951 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ WEE1 P30291 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ FGFR1 P11362 2/20 0.34
▸ SRC P12931 2/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ FGFR3 P22607 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
SCHEMBL28359206 0.93 JAK2 (0.68) TYK2JAK2JAK1JAK3L3MBTL1
SCHEMBL29922837 0.92 TYK2 (0.56) TYK2JAK2JAK1JAK3L3MBTL1
SCHEMBL28359224 0.92 TYK2 (0.56) TYK2JAK2JAK1JAK3L3MBTL1
SCHEMBL29552160 0.82 L3MBTL1 (0.46) TYK2JAK2JAK1JAK3L3MBTL1
SCHEMBL28359048 0.81 TYK2 (0.55) TYK2JAK2JAK1JAK3P2RX7
SCHEMBL29551775 0.81 TYK2 (0.55) TYK2JAK2JAK1JAK3P2RX7
SCHEMBL29552183 0.81 TYK2 (0.85) TYK2JAK2JAK1JAK3FGFR1
SCHEMBL28358941 0.81 TYK2 (0.68) TYK2JAK2JAK1JAK3P2RX7
SCHEMBL29552110 0.79 JAK2 (0.55) TYK2JAK2JAK1JAK3
SCHEMBL29552289 0.77 JAK2 (0.54) TYK2JAK2JAK1JAK3CYP3A4

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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