SCHEMBL28358968

SCHEMBL28358968

COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1cnn(C2CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ JAK3 P52333 3/20 0.41
▸ BTK Q06187 1/20 0.41
▸ MELK Q14680 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ NUAK1 O60285 2/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ AURKC Q9UQB9 1/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ NUAK2 Q9H093 1/20 0.39
▸ MAPK7 Q13164 1/20 0.39
▸ PAK1 Q13153 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL29922841 1.00 ALK (0.42) ALKCHRNB2CHRNA4JAK3BTK
SCHEMBL29552560 0.90 CHRNB2 (0.43) ALKCHRNB2CHRNA4JAK3BTK
SCHEMBL28359023 0.90 JAK2 (0.46) JAK3MELKGSK3BDYRK1AJAK2
SCHEMBL29552433 0.90 JAK2 (0.46) JAK3MELKGSK3BDYRK1AJAK2
SCHEMBL29552653 0.81 JAK2 (0.44) ALKJAK3MELKGSK3BDYRK1A
SCHEMBL28362532 0.80 JAK2 (0.51) JAK3MELKGSK3BDYRK1AJAK2
SCHEMBL28359197 0.79 DDB1 (0.46) JAK3BTKJAK2JAK1TYK2
SCHEMBL28359056 0.77 JAK3 (0.47) JAK3BTKJAK2JAK1TYK2
SCHEMBL29922895 0.77 JAK3 (0.47) JAK3BTKJAK2JAK1TYK2
SCHEMBL29922874 0.76 JAK2 (0.40) ALKJAK3JAK2JAK1TYK2

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 3 patents. 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
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
CN-110818641-A 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 2020-02-21 — — CN disclosed
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