SCHEMBL31240628

SCHEMBL31240628

CN1CCN(c2ccc(-c3cc4c(-c5ccc6[nH]nc(N)c6c5)ccnc4[nH]3)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 7/20 0.55
▸ DYRK1A Q13627 7/20 0.55
▸ CLK3 P49761 5/20 0.55
▸ JAK2 O60674 1/20 0.52
▸ TBK1 Q9UHD2 2/20 0.48
▸ ALK Q9UM73 3/20 0.47
▸ TNKS O95271 3/20 0.47
▸ BTK Q06187 1/20 0.46
▸ MAP4K1 Q92918 2/20 0.46
▸ TLR9 Q9NR96 1/20 0.45
▸ TLR8 Q9NR97 1/20 0.45
▸ TLR7 Q9NYK1 1/20 0.45
▸ IL2 P60568 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 0.89 TBK1 (0.60) CLK2DYRK1ACLK3TBK1
SCHEMBL31240339 0.83 TBK1 (0.56) CLK2DYRK1ACLK3JAK2TBK1
SCHEMBL31240700 0.82 CLK2 (0.58) CLK2DYRK1ACLK3JAK2TBK1
SCHEMBL31240473 0.81 DYRK1A (0.51) CLK2DYRK1ACLK3JAK2TBK1
SCHEMBL31240553 0.81 CLK2 (0.43) CLK2DYRK1ACLK3JAK2TBK1
SCHEMBL31240351 0.80 DYRK1A (0.46) CLK2DYRK1ACLK3JAK2TBK1
SCHEMBL31240485 0.80 TBK1 (0.54) JAK2TBK1
SCHEMBL31240306 0.79 DYRK1A (0.71) CLK2DYRK1ACLK3TBK1
SCHEMBL26685942 0.79 CCNK (0.55) CLK2DYRK1ACLK3JAK2ALK
SCHEMBL31240405 0.78 CLK2 (0.59) 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 2 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 disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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