SCHEMBL31240454

SCHEMBL31240454

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cccc(C(=O)NCCN6CCCCC6)c5)cc34)cc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.54
▸ WNT1 P04628 6/20 0.54
▸ CHUK O15111 2/20 0.52
▸ INSR P06213 2/20 0.52
▸ MAPK8 P45983 2/20 0.52
▸ CAMKK2 Q96RR4 2/20 0.52
▸ IKBKB O14920 1/20 0.48
▸ MAP4K4 O95819 1/20 0.47
▸ ATR Q13535 2/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ ERN1 O75460 1/20 0.46
▸ CLK2 P49760 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ SMYD2 Q9NRG4 1/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ APP P05067 1/20 0.43
▸ TBK1 Q9UHD2 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
SCHEMBL26686261 0.87 DYRK1A (0.56) DYRK1AWNT1PARP1CLK2CLK3
SCHEMBL30633374 0.87 DYRK1A (0.56) DYRK1AWNT1PARP1CLK2CLK3
SCHEMBL31240434 0.86 CHUK (0.57) DYRK1ACHUKINSRMAPK8CAMKK2
SCHEMBL31240564 0.84 DYRK1A (0.48) DYRK1AWNT1CHUKINSRMAPK8
SCHEMBL31240495 0.82 CLK2 (0.53) DYRK1AWNT1CHUKINSRMAPK8
SCHEMBL31240437 0.82 MAPK8 (0.55) DYRK1ACHUKINSRMAPK8CAMKK2
SCHEMBL31240414 0.81 CCNT1 (0.49) DYRK1ACHUKINSRMAPK8CAMKK2
SCHEMBL31240700 0.77 CLK2 (0.58) DYRK1ACLK2CLK3TBK1
SCHEMBL26685962 0.76 DYRK1A (0.43) DYRK1AWNT1MAPK8MAP4K4CLK2
SCHEMBL31240705 0.76 CLK2 (0.57) DYRK1AWNT1CHUKINSRMAPK8

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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