SCHEMBL13289327

SCHEMBL13289327

Bc1ccccc1CN1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.73
▸ CDK2 P24941 6/20 0.55
▸ CCNE1 P24864 3/20 0.55

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
SCHEMBL13122069 0.93 GSK3B (0.77) GSK3BCDK2CCNE1
SCHEMBL14050829 0.93 GSK3B (0.61) GSK3BCDK2CCNE1
SCHEMBL13122020 0.90 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL13122035 0.90 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL13122046 0.90 GSK3B (0.72) GSK3BCDK2CCNE1
SCHEMBL13122044 0.88 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL13122055 0.88 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL13122030 0.88 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL13289436 0.88 GSK3B (0.74) GSK3BCDK2CCNE1
SCHEMBL13122062 0.87 GSK3B (0.71) GSK3BCDK2CCNE1

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
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
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