SCHEMBL29552289

SCHEMBL29552289

CS(=O)(=O)c1ccc(Nc2cc(-c3c(F)cccc3Cl)nnc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.54
▸ JAK1 P23458 6/20 0.54
▸ TYK2 P29597 6/20 0.54
▸ JAK3 P52333 6/20 0.54
▸ CCNB2 O95067 1/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ RIPK2 O43353 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 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
SCHEMBL28359124 0.91 JAK2 (0.66) JAK2JAK1TYK2JAK3CCNB2
SCHEMBL29552137 0.91 JAK2 (0.54) JAK2JAK1TYK2JAK3CCNB2
SCHEMBL28359246 0.91 JAK2 (0.54) JAK2JAK1TYK2JAK3CCNB2
SCHEMBL29552110 0.85 JAK2 (0.55) JAK2JAK1TYK2JAK3CCNB2
SCHEMBL28883611 0.83 JAK2 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL29551766 0.81 JAK2 (0.51) JAK2JAK1TYK2JAK3DHODH
SCHEMBL29552228 0.80 TYK2 (0.61) JAK2JAK1TYK2JAK3DHODH
SCHEMBL29551995 0.80 JAK2 (0.69) JAK2JAK1TYK2JAK3CCNB2
SCHEMBL28359167 0.80 JAK2 (0.69) JAK2JAK1TYK2JAK3CCNB2
SCHEMBL29552269 0.79 TYK2 (0.51) JAK2JAK1TYK2JAK3DHODH

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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