SCHEMBL31240466

SCHEMBL31240466

Nc1n[nH]c2ccc(-c3ccnc(Nc4cccnc4)c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.54
▸ LRRK2 Q5S007 1/20 0.46
▸ MAPK8 P45983 2/20 0.46
▸ MAPK10 P53779 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ DYRK1A Q13627 12/20 0.46
▸ PDPK1 O15530 1/20 0.45
▸ CLK2 P49760 5/20 0.45
▸ CLK3 P49761 4/20 0.45
▸ WNT1 P04628 5/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ ROS1 P08922 1/20 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
SCHEMBL31240265 0.88 JAK2 (0.61) JAK2LRRK2MAPK8MAPK10DYRK1A
SCHEMBL31240314 0.85 JAK2 (0.68) JAK2LRRK2MAPK10DYRK1APDPK1
SCHEMBL30633283 0.85 DYRK1A (0.52) JAK2MAPK1DYRK1ACLK2CLK3
SCHEMBL26686348 0.85 DYRK1A (0.52) JAK2MAPK1DYRK1ACLK2CLK3
SCHEMBL31240461 0.85 JAK2 (0.52) JAK2LRRK2DYRK1APDPK1CLK2
SCHEMBL31240424 0.83 JAK2 (0.50) JAK2LRRK2DYRK1APDPK1CLK2
SCHEMBL31240573 0.82 JAK2 (0.57) JAK2LRRK2MAPK10DYRK1APDPK1
SCHEMBL31240348 0.81 JAK2 (0.53) JAK2LRRK2MAPK10MAPK1DYRK1A
SCHEMBL31240283 0.81 MAPK10 (0.63) JAK2LRRK2MAPK8MAPK10DYRK1A
SCHEMBL31240396 0.81 JAK2 (0.53) JAK2LRRK2MAPK10DYRK1APDPK1

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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