SCHEMBL31420523

SCHEMBL31420523

CCOC(=O)Nc1cc(-c2ccc3n[nH]c(N)c3c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 6/20 0.47
▸ GSK3B P49841 2/20 0.42
▸ AAK1 Q2M2I8 6/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RIPK3 Q9Y572 1/20 0.38

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
SCHEMBL30633127 0.84 JAK2 (0.48) PIK3C3GSK3BROCK2ROCK1JAK3
SCHEMBL26886635 0.84 JAK2 (0.48) PIK3C3GSK3BROCK2ROCK1JAK3
SCHEMBL31420499 0.78 ABL1 (0.40) GSK3BROCK1JAK3
SCHEMBL26888293 0.78 PIK3C3 (0.45) PIK3C3GSK3BAAK1MAPK14JAK3
SCHEMBL31420740 0.78 PIK3C3 (0.45) PIK3C3GSK3BAAK1MAPK14JAK3
SCHEMBL30633351 0.78 PIK3C3 (0.45) PIK3C3GSK3BAAK1MAPK14JAK3
SCHEMBL30633143 0.73 PIK3C3 (0.41) PIK3C3GSK3BAAK1CYP3A4ROCK2
SCHEMBL31420116 0.73 PIK3C3 (0.41) PIK3C3GSK3BAAK1CYP3A4ROCK2
SCHEMBL26888299 0.73 PIK3C3 (0.41) PIK3C3GSK3BAAK1CYP3A4ROCK2
SCHEMBL30633309 0.72 PIK3C3 (0.40) PIK3C3GSK3BROCK2ROCK1JAK3

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 1 patent. 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 disclosed
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