SCHEMBL31240424

SCHEMBL31240424

Nc1n[nH]c2ccc(-c3ccnc(Nc4cccc(O)c4)c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.50
▸ LRRK2 Q5S007 1/20 0.48
▸ PKMYT1 Q99640 1/20 0.45
▸ SYK P43405 1/20 0.44
▸ PDPK1 O15530 1/20 0.44
▸ KDR P35968 2/20 0.43
▸ KIT P10721 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ PLK4 O00444 2/20 0.43
▸ DAPK3 O43293 2/20 0.43
▸ DYRK3 O43781 2/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ MARK3 P27448 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ CLK2 P49760 2/20 0.43
▸ JAK3 P52333 2/20 0.43

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
SCHEMBL31240461 0.88 JAK2 (0.52) JAK2LRRK2PDPK1KDRMAPKAPK2
SCHEMBL31240348 0.87 JAK2 (0.53) JAK2LRRK2PDPK1KDRMAPKAPK2
SCHEMBL31240265 0.87 JAK2 (0.61) JAK2LRRK2PDPK1KDRMAPKAPK2
SCHEMBL31240361 0.86 JAK2 (0.47) JAK2LRRK2PDPK1KDRMAPKAPK2
SCHEMBL31240611 0.85 ROCK1 (0.53) JAK2LRRK2PKMYT1SYKROCK1
SCHEMBL31240612 0.85 ROCK1 (0.53) JAK2LRRK2PKMYT1SYKROCK1
SCHEMBL31240431 0.85 NPC1 (0.48) JAK2LRRK2KDRPLK4DAPK3
SCHEMBL31240740 0.84 JAK2 (0.47) JAK2LRRK2PDPK1KDRMAPKAPK2
SCHEMBL31240466 0.83 JAK2 (0.54) JAK2LRRK2PDPK1KDRPLK4
SCHEMBL31240314 0.82 JAK2 (0.68) JAK2LRRK2PDPK1KDRMAPKAPK2

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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