SCHEMBL31240326

SCHEMBL31240326

N#Cc1cccc(-c2cc3c(-c4ccc5[nH]nc(N)c5c4)ccnc3[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 5/20 0.58
▸ CLK2 P49760 7/20 0.52
▸ DYRK1A Q13627 7/20 0.52
▸ CLK3 P49761 6/20 0.52
▸ CCNT1 O60563 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ NUDT1 P36639 1/20 0.44
▸ NTRK1 P04629 2/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ JAK2 O60674 3/20 0.43
▸ RAF1 P04049 1/20 0.42
▸ BRAF P15056 1/20 0.42

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
SCHEMBL31240700 0.87 CLK2 (0.58) TBK1CLK2DYRK1ACLK3JAK2
SCHEMBL31240587 0.86 CLK2 (0.56) CLK2DYRK1ACLK3CCNT1CDK9
SCHEMBL31240405 0.85 CLK2 (0.59) CLK2DYRK1ACLK3JAK2
SCHEMBL31240705 0.85 CLK2 (0.57) CLK2DYRK1ACLK3JAK2
SCHEMBL31240313 0.83 TBK1 (0.50) TBK1CLK2DYRK1ACLK3
SCHEMBL31240559 0.83 TBK1 (0.58) TBK1CLK2DYRK1ACLK3
SCHEMBL31240306 0.82 DYRK1A (0.71) TBK1CLK2DYRK1ACLK3
SCHEMBL31240492 0.82 DYRK1A (0.52) CLK2DYRK1ACLK3CCNT1CDK9
SCHEMBL31240417 0.82 CCNB2 (0.53) CLK2DYRK1ACLK3
SCHEMBL31240343 0.81 CLK2 (0.63) CLK2DYRK1ACLK3JAK2

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