SCHEMBL29552149

SCHEMBL29552149

O=C(O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 12/20 0.46
▸ JAK2 O60674 11/20 0.46
▸ JAK1 P23458 5/20 0.46
▸ JAK3 P52333 5/20 0.46
▸ DHODH Q02127 2/20 0.43
▸ CTSV O60911 1/20 0.36
▸ CTSL P07711 1/20 0.36

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
SCHEMBL29552441 0.90 JAK2 (0.48) TYK2JAK2JAK1JAK3DHODH
SCHEMBL28359015 0.88 TYK2 (0.44) TYK2JAK2JAK1JAK3DHODH
SCHEMBL29922729 0.88 TYK2 (0.44) TYK2JAK2JAK1JAK3DHODH
SCHEMBL29551945 0.84 DHODH (0.41) TYK2JAK2JAK1JAK3DHODH
SCHEMBL29551959 0.83 JAK2 (0.46) TYK2JAK2JAK1JAK3DHODH
SCHEMBL29552942 0.82 TYK2 (0.41) TYK2JAK2JAK1JAK3DHODH
SCHEMBL28362708 0.82 DHODH (0.45) TYK2JAK2JAK1JAK3DHODH
SCHEMBL28884120 0.81 TYK2 (0.55) TYK2JAK2JAK1JAK3DHODH
SCHEMBL29551923 0.81 TYK2 (0.55) TYK2JAK2JAK1JAK3DHODH
SCHEMBL29552473 0.81 JAK2 (0.44) TYK2JAK2JAK1JAK3DHODH

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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