SCHEMBL31420109

SCHEMBL31420109

CC(C)(C)C#Cc1cc(-c2ccnc(NC(=O)OC(C)(C)C)c2)cc2c(N)n[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.40
▸ PIK3C3 Q8NEB9 7/20 0.38
▸ AAK1 Q2M2I8 8/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ NR2C2 P49116 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ RIPK3 Q9Y572 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ TGFBR1 P36897 1/20 0.34

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
SCHEMBL30633148 1.00 MAP4K4 (0.40) MAP4K4PIK3C3AAK1CYP3A4IRAK4
SCHEMBL26888322 1.00 MAP4K4 (0.40) MAP4K4PIK3C3AAK1CYP3A4IRAK4
SCHEMBL26888282 0.93 PIK3C3 (0.45) PIK3C3AAK1CYP3A4ROCK2NR2C2
SCHEMBL31420502 0.93 PIK3C3 (0.45) PIK3C3AAK1CYP3A4ROCK2NR2C2
SCHEMBL30633163 0.93 PIK3C3 (0.45) PIK3C3AAK1CYP3A4ROCK2NR2C2
SCHEMBL26888299 0.89 PIK3C3 (0.41) PIK3C3AAK1CYP3A4ROCK2NR2C2
SCHEMBL30633143 0.89 PIK3C3 (0.41) PIK3C3AAK1CYP3A4ROCK2NR2C2
SCHEMBL31420116 0.89 PIK3C3 (0.41) PIK3C3AAK1CYP3A4ROCK2NR2C2
SCHEMBL31420130 0.89 MAPK1 (0.40) PIK3C3
SCHEMBL31420161 0.89 PIK3C3 (0.46) 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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