SCHEMBL31420540

SCHEMBL31420540

Nc1n[nH]c2c(Br)cc(-c3ccnc(NC(=O)C4CC4)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 17/20 0.52
▸ PIK3C3 Q8NEB9 3/20 0.51
▸ MAPK14 Q16539 1/20 0.45

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
SCHEMBL26686188 1.00 GSK3B (0.52) GSK3BPIK3C3MAPK14
SCHEMBL26686554 0.96 GSK3B (0.47) GSK3BPIK3C3
SCHEMBL26686487 0.96 GSK3B (0.47) GSK3BPIK3C3MAPK14
SCHEMBL31420816 0.96 GSK3B (0.47) GSK3BPIK3C3
SCHEMBL31420479 0.96 GSK3B (0.47) GSK3BPIK3C3MAPK14
SCHEMBL26686694 0.88 PIK3C3 (0.42) GSK3BPIK3C3
SCHEMBL26686481 0.87 PIK3C3 (0.52) PIK3C3
SCHEMBL31420490 0.87 PIK3C3 (0.52) PIK3C3
SCHEMBL31420562 0.86 PIK3C3 (0.41) GSK3BPIK3C3MAPK14
SCHEMBL26686349 0.86 PIK3C3 (0.41) GSK3BPIK3C3MAPK14

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
Send feedback