SCHEMBL31240400

SCHEMBL31240400

Nc1n[nH]c2ccc(-c3ccnc(Nc4ccccn4)c3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.57
▸ PDPK1 O15530 2/20 0.49
▸ TYK2 P29597 3/20 0.48
▸ JAK3 P52333 3/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ LRRK2 Q5S007 1/20 0.47
▸ MAPK10 P53779 2/20 0.46
▸ PLK4 O00444 2/20 0.44
▸ DAPK3 O43293 2/20 0.44
▸ DYRK3 O43781 2/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ MAP4K4 O95819 2/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ MARK3 P27448 2/20 0.44
▸ CLK2 P49760 2/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ PRKCD Q05655 2/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44

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
SCHEMBL31240573 0.88 JAK2 (0.57) JAK2PDPK1TYK2JAK3JAK1
SCHEMBL31240265 0.87 JAK2 (0.61) JAK2PDPK1TYK2JAK3JAK1
SCHEMBL31240438 0.86 JAK2 (0.52) JAK2PDPK1TYK2JAK3JAK1
SCHEMBL31240460 0.83 JAK2 (0.52) JAK2PDPK1TYK2JAK3JAK1
SCHEMBL31240378 0.82 JAK2 (0.51) JAK2PDPK1TYK2JAK3JAK1
SCHEMBL31240314 0.82 JAK2 (0.68) JAK2PDPK1TYK2JAK3LRRK2
SCHEMBL31240461 0.81 JAK2 (0.52) JAK2PDPK1TYK2JAK3JAK1
SCHEMBL31240466 0.81 JAK2 (0.54) JAK2PDPK1TYK2JAK3LRRK2
SCHEMBL31240348 0.80 JAK2 (0.53) JAK2PDPK1TYK2JAK3LRRK2
SCHEMBL31240396 0.80 JAK2 (0.53) JAK2PDPK1TYK2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP claimed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO claimed
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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