SCHEMBL31240413

SCHEMBL31240413

CCc1ccccc1-c1cc2c(-c3ccc4[nH]nc(N)c4c3)ccnc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 10/20 0.50
▸ DYRK1A Q13627 10/20 0.50
▸ CLK3 P49761 8/20 0.50
▸ JAK2 O60674 5/20 0.47
▸ TYK2 P29597 2/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ CHUK O15111 3/20 0.46
▸ INSR P06213 3/20 0.46
▸ MAPK8 P45983 3/20 0.46
▸ CAMKK2 Q96RR4 3/20 0.46
▸ CCNT1 O60563 2/20 0.44
▸ CDK9 P50750 2/20 0.44
▸ CDK2 P24941 2/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CDK1 P06493 1/20 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
SCHEMBL31240458 0.86 CHUK (0.51) CLK2DYRK1ACLK3JAK2TYK2
SCHEMBL31240486 0.84 CLK2 (0.55) CLK2DYRK1ACLK3JAK2TYK2
SCHEMBL31240405 0.84 CLK2 (0.59) CLK2DYRK1ACLK3JAK2TYK2
SCHEMBL31240700 0.83 CLK2 (0.58) CLK2DYRK1ACLK3JAK2TYK2
SCHEMBL31240683 0.81 DYRK1A (0.54) CLK2DYRK1ACLK3JAK2TYK2
SCHEMBL31240376 0.81 CLK2 (0.62) CLK2DYRK1ACLK3JAK2TYK2
SCHEMBL31240421 0.81 MAPK8 (0.47) CLK2DYRK1ACLK3JAK2TYK2
SCHEMBL31240343 0.79 CLK2 (0.63) CLK2DYRK1ACLK3JAK2TYK2
SCHEMBL31240587 0.79 CLK2 (0.56) CLK2DYRK1ACLK3JAK2TYK2
SCHEMBL31240306 0.79 DYRK1A (0.71) CLK2DYRK1ACLK3

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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