SCHEMBL29780975

SCHEMBL29780975

Nc1ncnc2c1c(Br)nn2CC(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.47
▸ JAK3 P52333 8/20 0.47
▸ JAK1 P23458 6/20 0.47
▸ FYN P06241 8/20 0.44
▸ ADK P55263 3/20 0.41
▸ LYN P07948 2/20 0.39
▸ BLK P51451 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL29052107 1.00 JAK2 (0.47) JAK2JAK3JAK1FYNADK
SCHEMBL29781042 0.85 ADORA2A (0.50) JAK2JAK3JAK1FYNADK
SCHEMBL29052177 0.85 ADORA2A (0.50) JAK2JAK3JAK1FYNADK
SCHEMBL29780904 0.80 JAK2 (0.46) JAK2JAK3JAK1ADKADORA2A
SCHEMBL29052236 0.80 JAK2 (0.46) JAK2JAK3JAK1ADKADORA2A
SCHEMBL15826969 0.80 PIK3CD (0.51) JAK2JAK3JAK1ADKADORA3
SCHEMBL29780853 0.79 RET (0.47) JAK2JAK3JAK1ADK
SCHEMBL29052149 0.77 ADORA2A (0.49) JAK2JAK3JAK1ADKADORA3
SCHEMBL19476278 0.77 ADORA2A (0.49) JAK2JAK3JAK1ADKADORA3
SCHEMBL29781034 0.77 ADORA2A (0.49) JAK2JAK3JAK1ADKADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583287-A Pyridazinone heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-08-11 — — CN disclosed
WO-2022166610-A1 PYRIDAZINONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-08-11 — — WO disclosed
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