SCHEMBL29922940

SCHEMBL29922940

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.49
▸ TYK2 P29597 4/20 0.49
▸ JAK1 P23458 3/20 0.49
▸ JAK3 P52333 3/20 0.49
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL28359019 1.00 JAK2 (0.49) JAK2TYK2JAK1JAK3MAPT
SCHEMBL28362586 0.94 JAK2 (0.42) JAK2TYK2JAK1JAK3
SCHEMBL29922686 0.94 JAK2 (0.42) JAK2TYK2JAK1JAK3
SCHEMBL29552272 0.92 JAK2 (0.50) JAK2TYK2JAK1JAK3MAPT
SCHEMBL28359046 0.91 JAK2 (0.60) JAK2TYK2JAK1JAK3MAPT
SCHEMBL29552451 0.91 JAK2 (0.60) JAK2TYK2JAK1JAK3MAPT
SCHEMBL29922577 0.88 JAK2 (0.51) JAK2TYK2JAK1JAK3MAPT
SCHEMBL28358944 0.88 JAK2 (0.51) JAK2TYK2JAK1JAK3MAPT
SCHEMBL29552218 0.85 JAK2 (0.43) JAK2TYK2JAK1JAK3
SCHEMBL28362534 0.84 JAK2 (0.51) JAK2TYK2JAK1JAK3

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
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
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