SCHEMBL31420121

SCHEMBL31420121

Nc1n[nH]c2ccc(-c3ccnc4[nH]c(C(=O)NC5CCCCC5)cc34)cc12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 2/20 0.57
▸ DYRK1A Q13627 16/20 0.53
▸ WNT1 P04628 10/20 0.53
▸ TBK1 Q9UHD2 2/20 0.51

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
SCHEMBL26685912 1.00 NUDT1 (0.57) NUDT1DYRK1AWNT1TBK1
SCHEMBL31240280 0.99 NUDT1 (0.58) NUDT1DYRK1AWNT1TBK1
SCHEMBL26686119 0.99 NUDT1 (0.58) NUDT1DYRK1AWNT1TBK1
SCHEMBL30633340 0.91 NUDT1 (0.49) NUDT1DYRK1AWNT1TBK1
SCHEMBL31240736 0.82 NUDT1 (0.49) NUDT1DYRK1AWNT1
SCHEMBL26685908 0.82 NUDT1 (0.49) NUDT1DYRK1AWNT1
SCHEMBL30633374 0.82 DYRK1A (0.56) NUDT1DYRK1AWNT1
SCHEMBL26686261 0.82 DYRK1A (0.56) NUDT1DYRK1AWNT1
SCHEMBL31420159 0.82 NUDT1 (0.60) NUDT1DYRK1A
SCHEMBL31240425 0.82 NUDT1 (0.48) NUDT1DYRK1A

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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