SCHEMBL29780909

SCHEMBL29780909

Nc1ncnc2c1c(Br)cn2CCF

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 5/20 0.45
▸ SRC P12931 6/20 0.41
▸ LCK P06239 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PHKG2 P15735 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ MARK3 P27448 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ CSNK1G2 P78368 1/20 0.41
▸ MAP4K2 Q12851 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41

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
SCHEMBL29052158 1.00 ADK (0.45) ADKSRCLCKDYRK1ADYRK3
SCHEMBL29781101 0.81 ADK (0.41) ADKSRC
SCHEMBL29052179 0.81 ADK (0.41) ADKSRC
SCHEMBL16236958 0.81 DYRK3 (0.60) ADKSRCLCKDYRK1ADYRK3
SCHEMBL869273 0.81 SRC (0.46) ADKSRCLCKDYRK1ADYRK3
SCHEMBL868932 0.81 FLT3 (0.42) ADKSRCLCKDYRK1AFLT3
SCHEMBL29781089 0.80 DYRK1A (0.46) ADKSRCDYRK1ADYRK3ROCK2
SCHEMBL29780942 0.80 ADK (0.41) ADKSRCDYRK1ADYRK3ROCK2
SCHEMBL18658332 0.80 DYRK1A (0.46) ADKSRCDYRK1ADYRK3ROCK2
SCHEMBL870030 0.77 METTL3 (0.52) ADKFLT3METTL3ABL1

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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