SCHEMBL31240352

SCHEMBL31240352

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5cccc(CN6CCOCC6)c5)cc34)cc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 5/20 0.61
JAK2 O60674 1/20 0.58
CAMKK2 Q96RR4 6/20 0.51
CHUK O15111 5/20 0.51
MAPK8 P45983 5/20 0.51
AURKA O14965 3/20 0.51
AURKB Q96GD4 3/20 0.51
INSR P06213 2/20 0.51
CDK1 P06493 1/20 0.49
CDK2 P24941 1/20 0.49
CASP3 P42574 1/20 0.49
CDK9 P50750 1/20 0.49
CASP7 P55210 1/20 0.49
CLK2 P49760 2/20 0.49
CLK3 P49761 2/20 0.49
DYRK1A Q13627 2/20 0.49
CSF1R P07333 1/20 0.48
MAPKAPK2 P49137 1/20 0.46

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
SCHEMBL31240247 0.92 JAK2 (0.67) TBK1JAK2CAMKK2CHUKMAPK8
SCHEMBL31240546 0.86 CAMKK2 (0.54) TBK1JAK2CAMKK2CHUKMAPK8
SCHEMBL31240547 0.86 TBK1 (0.53) TBK1CAMKK2CHUKMAPK8AURKA
SCHEMBL31240591 0.86 TBK1 (0.53) TBK1JAK2CAMKK2CHUKMAPK8
SCHEMBL26686381 0.85 JAK2 (0.60) TBK1JAK2CAMKK2CHUKMAPK8
SCHEMBL31240550 0.83 DYRK1A (0.51) JAK2CAMKK2CHUKMAPK8AURKA
SCHEMBL31240450 0.82 JAK2 (0.58) TBK1JAK2CDK9CLK2CLK3
SCHEMBL31240533 0.82 TBK1 (0.54) TBK1
SCHEMBL31240589 0.82 TBK1 (0.60) TBK1CLK2CLK3DYRK1A
SCHEMBL31240700 0.81 CLK2 (0.58) TBK1JAK2CLK2CLK3DYRK1A

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