SCHEMBL31240472

SCHEMBL31240472

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(C(=O)NCCc5ccccc5)cc34)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.52
▸ MAPK3 P27361 1/20 0.52
▸ NUDT1 P36639 5/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ HASPIN Q8TF76 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ RET P07949 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ KDM5A P29375 1/20 0.41

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
SCHEMBL26686625 1.00 MAPK1 (0.52) MAPK1MAPK3NUDT1NPC1RAB9A
SCHEMBL26685923 0.95 GPR84 (0.47) MAPK1MAPK3NUDT1NPC1RAB9A
SCHEMBL31420115 0.95 GPR84 (0.47) MAPK1MAPK3NUDT1NPC1RAB9A
SCHEMBL26685908 0.89 NUDT1 (0.49) NUDT1JAK2CLK2CLK3DYRK1A
SCHEMBL31240736 0.89 NUDT1 (0.49) NUDT1JAK2CLK2CLK3DYRK1A
SCHEMBL31240633 0.85 CCNK (0.54) MAPK1NUDT1SMN1; SMN2JAK2CCNC
SCHEMBL26686484 0.85 CCNK (0.54) MAPK1NUDT1SMN1; SMN2JAK2CCNC
SCHEMBL30633338 0.84 NUDT1 (0.48) NUDT1JAK2CLK2CLK3DYRK1A
SCHEMBL30633128 0.84 CCNK (0.55) NUDT1JAK2DYRK1A
SCHEMBL26685806 0.84 NUDT1 (0.48) NUDT1JAK2CLK2CLK3DYRK1A

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 6 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
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN 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
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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