SCHEMBL31240366

SCHEMBL31240366

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cccnc5N5CCOCC5)cc34)cc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 17/20 0.52
▸ CLK2 P49760 1/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CSF1R P07333 1/20 0.45
▸ LRRK2 Q5S007 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
SCHEMBL31240589 0.84 TBK1 (0.60) TBK1CLK2CLK3DYRK1A
SCHEMBL31240533 0.84 TBK1 (0.54) TBK1LRRK2
SCHEMBL31240485 0.84 TBK1 (0.54) TBK1LRRK2
SCHEMBL31240683 0.80 DYRK1A (0.54) CLK2CLK3DYRK1A
SCHEMBL31240247 0.79 JAK2 (0.67) TBK1CSF1R
SCHEMBL31240352 0.79 TBK1 (0.61) TBK1CLK2CLK3DYRK1ACSF1R
SCHEMBL31240700 0.78 CLK2 (0.58) TBK1CLK2CLK3DYRK1A
SCHEMBL31240486 0.77 CLK2 (0.55) CLK2CLK3DYRK1A
SCHEMBL26686381 0.77 JAK2 (0.60) TBK1DYRK1A
SCHEMBL31240681 0.77 CDK9 (0.50) TBK1CSF1RLRRK2

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
Send feedback