SCHEMBL31420127

SCHEMBL31420127

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(C(=O)N5CCCC5)cc34)cc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 3/20 0.53
▸ JAK2 O60674 3/20 0.48
▸ BTK Q06187 1/20 0.43
▸ NUDT1 P36639 4/20 0.43
▸ DYRK1A Q13627 4/20 0.42
▸ CLK2 P49760 3/20 0.42
▸ CLK3 P49761 2/20 0.42
▸ WNT1 P04628 1/20 0.40
▸ ABL1 P00519 3/20 0.39
▸ BCR P11274 3/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39

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
SCHEMBL26685751 1.00 TBK1 (0.53) TBK1JAK2BTKNUDT1DYRK1A
SCHEMBL30633298 0.91 TBK1 (0.55) TBK1JAK2DYRK1ACLK2CLK3
SCHEMBL26685843 0.91 TBK1 (0.55) TBK1JAK2DYRK1ACLK2CLK3
SCHEMBL26686408 0.84 NUDT1 (0.48) JAK2NUDT1DYRK1ACLK2CLK3
SCHEMBL26685791 0.84 NUDT1 (0.60) JAK2NUDT1DYRK1ACLK2CLK3
SCHEMBL31240425 0.84 NUDT1 (0.48) JAK2NUDT1DYRK1ACLK2CLK3
SCHEMBL31420159 0.84 NUDT1 (0.60) JAK2NUDT1DYRK1ACLK2CLK3
SCHEMBL30633374 0.82 DYRK1A (0.56) NUDT1DYRK1ACLK2CLK3WNT1
SCHEMBL26686261 0.82 DYRK1A (0.56) NUDT1DYRK1ACLK2CLK3WNT1
SCHEMBL30633398 0.81 NUDT1 (0.46) JAK2NUDT1DYRK1ACLK2CLK3

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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