SCHEMBL13289381

SCHEMBL13289381

CC(C)C1=CC=C(S(=O)(=O)N2CCC(c3cc(NCc4cccnc4)n4ncc(Br)c4n3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.64
▸ CDK2 P24941 6/20 0.49
▸ CCNE1 P24864 3/20 0.47

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
SCHEMBL13120514 0.85 GSK3B (0.68) GSK3BCDK2CCNE1
SCHEMBL12952879 0.85 GSK3B (0.74) GSK3BCDK2CCNE1
SCHEMBL13120562 0.84 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL13120499 0.84 GSK3B (0.78) GSK3BCDK2CCNE1
SCHEMBL12952894 0.84 GSK3B (0.78) GSK3BCDK2CCNE1
SCHEMBL13120527 0.84 GSK3B (0.74) GSK3BCDK2CCNE1
SCHEMBL13120560 0.83 GSK3B (0.71) GSK3BCDK2CCNE1
SCHEMBL13120506 0.83 GSK3B (0.71) GSK3BCDK2CCNE1
SCHEMBL13120563 0.83 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL13120517 0.82 GSK3B (0.70) 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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