SCHEMBL26886607

SCHEMBL26886607

CNCCCNc1cc(-c2ccc3[nH]nc(N)c3c2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.51
▸ LRRK2 Q5S007 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MAP4K4 O95819 6/20 0.46
▸ CDK2 P24941 5/20 0.45
▸ JAK3 P52333 4/20 0.45
▸ ROCK2 O75116 4/20 0.45
▸ CLK4 Q9HAZ1 4/20 0.45
▸ PLK4 O00444 3/20 0.45
▸ DAPK3 O43293 3/20 0.45
▸ DYRK3 O43781 3/20 0.45
▸ CDK1 P06493 3/20 0.45
▸ MARK3 P27448 3/20 0.45
▸ TYK2 P29597 3/20 0.45
▸ CLK2 P49760 3/20 0.45
▸ CDK5 Q00535 3/20 0.45
▸ PRKCD Q05655 3/20 0.45
▸ ROCK1 Q13464 3/20 0.45
▸ DYRK1A Q13627 3/20 0.45
▸ PKN2 Q16513 3/20 0.45

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
SCHEMBL30633170 1.00 JAK2 (0.51) JAK2LRRK2HRH3MAP4K4CDK2
SCHEMBL26686269 0.87 JAK2 (0.50) JAK2LRRK2MAP4K4CDK2JAK3
SCHEMBL26686087 0.87 JAK2 (0.52) JAK2LRRK2MAP4K4CDK2JAK3
SCHEMBL31420129 0.87 JAK2 (0.52) JAK2LRRK2MAP4K4CDK2JAK3
SCHEMBL26686310 0.87 JAK2 (0.55) JAK2LRRK2MAP4K4CDK2JAK3
SCHEMBL26685747 0.86 LRRK2 (0.58) JAK2LRRK2MAP4K4CDK2JAK3
SCHEMBL31240448 0.86 JAK2 (0.51) JAK2LRRK2MAP4K4CDK2JAK3
SCHEMBL26686112 0.86 JAK2 (0.51) JAK2LRRK2MAP4K4CDK2JAK3
SCHEMBL31240693 0.85 JAK2 (0.50) JAK2LRRK2MAP4K4CDK2JAK3
SCHEMBL26685988 0.85 JAK2 (0.50) JAK2LRRK2MAP4K4CDK2JAK3

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
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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