SCHEMBL31240414

SCHEMBL31240414

CN1CCN(C(=O)c2cccc(-c3cc4c(-c5ccc6[nH]nc(N)c6c5)ccnc4[nH]3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 3/20 0.49
▸ CDK9 P50750 3/20 0.49
▸ RIPK1 Q13546 1/20 0.48
▸ FYN P06241 1/20 0.47
▸ CLK2 P49760 3/20 0.46
▸ CLK3 P49761 3/20 0.46
▸ DYRK1A Q13627 3/20 0.46
▸ CHUK O15111 3/20 0.46
▸ INSR P06213 3/20 0.46
▸ MAPK8 P45983 3/20 0.46
▸ CAMKK2 Q96RR4 3/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ ABL1 P00519 3/20 0.45
▸ BCR P11274 3/20 0.45
▸ ALK Q9UM73 1/20 0.44
▸ MAP3K11 Q16584 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ATR Q13535 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
SCHEMBL26685843 0.84 TBK1 (0.55) CLK2CLK3DYRK1AJAK2ALK
SCHEMBL30633298 0.84 TBK1 (0.55) CLK2CLK3DYRK1AJAK2ALK
SCHEMBL31240495 0.84 CLK2 (0.53) CCNT1CDK9CLK2CLK3DYRK1A
SCHEMBL31240437 0.84 MAPK8 (0.55) CCNT1CDK9FYNCLK2CLK3
SCHEMBL31240454 0.81 DYRK1A (0.54) CCNT1CDK9CLK2CLK3DYRK1A
SCHEMBL31240700 0.79 CLK2 (0.58) CLK2CLK3DYRK1AJAK2
SCHEMBL31240434 0.79 CHUK (0.57) CCNT1CDK9CLK2CLK3DYRK1A
SCHEMBL31240705 0.78 CLK2 (0.57) RIPK1CLK2CLK3DYRK1ACHUK
SCHEMBL31240628 0.78 CLK2 (0.55) CLK2CLK3DYRK1AJAK2ALK
SCHEMBL31240587 0.78 CLK2 (0.56) CCNT1CDK9CLK2CLK3DYRK1A

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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