SCHEMBL31420161

SCHEMBL31420161

CC(=O)Nc1cc(-c2cc(C#CC(C)(C)C)c3[nH]nc(N)c3c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 19/20 0.46
▸ AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL26686275 1.00 PIK3C3 (0.46) PIK3C3AAK1
SCHEMBL26686402 0.92 MAPK1 (0.40) PIK3C3
SCHEMBL26686226 0.92 PIK3C3 (0.39) PIK3C3AAK1
SCHEMBL31420130 0.92 MAPK1 (0.40) PIK3C3
SCHEMBL26686189 0.91 PIK3C3 (0.37) PIK3C3AAK1
SCHEMBL31420502 0.90 PIK3C3 (0.45) PIK3C3AAK1
SCHEMBL26685883 0.90 PIK3C3 (0.38) PIK3C3AAK1
SCHEMBL31420186 0.90 PIK3C3 (0.38) PIK3C3AAK1
SCHEMBL30633163 0.90 PIK3C3 (0.45) PIK3C3AAK1
SCHEMBL26888282 0.90 PIK3C3 (0.45) PIK3C3AAK1

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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