SCHEMBL26888293

SCHEMBL26888293

CCOC(=O)Nc1cc(-c2cc(Br)c3[nH]nc(N)c3c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 11/20 0.45
▸ GSK3B P49841 2/20 0.40
▸ JAK3 P52333 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ AAK1 Q2M2I8 2/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ RIPK3 Q9Y572 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36

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
SCHEMBL31420740 1.00 PIK3C3 (0.45) PIK3C3GSK3BJAK3MAPK1AAK1
SCHEMBL30633351 1.00 PIK3C3 (0.45) PIK3C3GSK3BJAK3MAPK1AAK1
SCHEMBL31420477 0.90 JAK3 (0.41) PIK3C3GSK3BJAK3MAPK1MAPK14
SCHEMBL31420591 0.90 JAK3 (0.41) PIK3C3GSK3BJAK3MAPK1MAPK14
SCHEMBL30633291 0.90 PIK3C3 (0.51) PIK3C3AAK1
SCHEMBL31420510 0.90 PIK3C3 (0.51) PIK3C3AAK1
SCHEMBL26888164 0.90 PIK3C3 (0.51) PIK3C3AAK1
SCHEMBL31420562 0.87 PIK3C3 (0.41) PIK3C3GSK3BMAPK14
SCHEMBL26686349 0.87 PIK3C3 (0.41) PIK3C3GSK3BMAPK14
SCHEMBL26686694 0.86 PIK3C3 (0.42) PIK3C3GSK3BMAPK1

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
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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