SCHEMBL29780904

SCHEMBL29780904

Nc1ncnc2c1c(Br)nn2CCF

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.46
▸ JAK3 P52333 7/20 0.46
▸ JAK1 P23458 5/20 0.46
▸ ADK P55263 3/20 0.45
▸ SRC P12931 3/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ YES1 P07947 1/20 0.38
▸ FGR P09769 1/20 0.38
▸ PIK3CD O00329 3/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ PIK3CB P42338 3/20 0.38
▸ PIK3CG P48736 3/20 0.38
▸ PRKDC P78527 3/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ HCK P08631 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
SCHEMBL29052236 1.00 JAK2 (0.46) JAK2JAK3JAK1ADKSRC
SCHEMBL29781034 0.84 ADORA2A (0.49) JAK2JAK3JAK1ADKSRC
SCHEMBL19476278 0.84 ADORA2A (0.49) JAK2JAK3JAK1ADKSRC
SCHEMBL29052149 0.84 ADORA2A (0.49) JAK2JAK3JAK1ADKSRC
SCHEMBL21851263 0.82 ADORA2A (0.51) JAK2JAK3JAK1ADKSRC
SCHEMBL15826969 0.81 PIK3CD (0.51) JAK2JAK3JAK1ADKSRC
SCHEMBL29052107 0.80 JAK2 (0.47) JAK2JAK3JAK1ADKADORA2A
SCHEMBL29780975 0.80 JAK2 (0.47) JAK2JAK3JAK1ADKADORA2A
SCHEMBL29780853 0.80 RET (0.47) JAK2JAK3JAK1ADKDYRK1A
SCHEMBL29052129 0.80 JAK2 (0.45) JAK2JAK3JAK1ADKSRC

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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