SCHEMBL31420115

SCHEMBL31420115

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(C(=O)NCCCc5ccccc5)cc34)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.47
▸ NUDT1 P36639 5/20 0.46
▸ MAPK3 P27361 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ AURKA O14965 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ KIT P10721 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 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
SCHEMBL26685923 1.00 GPR84 (0.47) GPR84NUDT1MAPK3MAPK1AURKA
SCHEMBL26686625 0.95 MAPK1 (0.52) NUDT1MAPK3MAPK1AURKAAURKB
SCHEMBL31240472 0.95 MAPK1 (0.52) NUDT1MAPK3MAPK1AURKAAURKB
SCHEMBL26685908 0.87 NUDT1 (0.49) NUDT1ROCK1JAK2CLK2CLK3
SCHEMBL31240736 0.87 NUDT1 (0.49) NUDT1ROCK1JAK2CLK2CLK3
SCHEMBL30633157 0.85 CHUK (0.56) NUDT1ALDH1A1FLT3DYRK1ACHUK
SCHEMBL26685911 0.85 CHUK (0.56) NUDT1ALDH1A1FLT3DYRK1ACHUK
SCHEMBL31240633 0.84 CCNK (0.54) NUDT1MAPK1KDRJAK2SMN1; SMN2
SCHEMBL26686484 0.84 CCNK (0.54) NUDT1MAPK1KDRJAK2SMN1; SMN2
SCHEMBL30633128 0.83 CCNK (0.55) NUDT1JAK2HTR2CDYRK1ACHUK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN claimed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
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