SCHEMBL31420591

SCHEMBL31420591

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.41
▸ GSK3B P49841 4/20 0.41
▸ PIK3C3 Q8NEB9 9/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 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
SCHEMBL31420477 1.00 JAK3 (0.41) JAK3GSK3BPIK3C3NPC1RAB9A
SCHEMBL26888293 0.90 PIK3C3 (0.45) JAK3GSK3BPIK3C3MAPK1MAPK14
SCHEMBL30633351 0.90 PIK3C3 (0.45) JAK3GSK3BPIK3C3MAPK1MAPK14
SCHEMBL31420740 0.90 PIK3C3 (0.45) JAK3GSK3BPIK3C3MAPK1MAPK14
SCHEMBL26686349 0.85 PIK3C3 (0.41) GSK3BPIK3C3MAPK14
SCHEMBL31420562 0.85 PIK3C3 (0.41) GSK3BPIK3C3MAPK14
SCHEMBL26686694 0.85 PIK3C3 (0.42) GSK3BPIK3C3MAPK1
SCHEMBL30633291 0.84 PIK3C3 (0.51) PIK3C3
SCHEMBL31420510 0.84 PIK3C3 (0.51) PIK3C3
SCHEMBL26888164 0.84 PIK3C3 (0.51) PIK3C3

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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