SCHEMBL13885679

SCHEMBL13885679

COS(=O)(=O)c1ccc(Nc2cc(N3CCC[C@@H]3CO)nc3c(Br)cnn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 5/20 0.55
▸ CDK2 P24941 9/20 0.44
▸ GSK3B P49841 8/20 0.44
▸ CDK9 P50750 5/20 0.42
▸ CDK7 P50613 3/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ CCNK O75909 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CCNH P51946 2/20 0.42
▸ MNAT1 P51948 2/20 0.42
▸ CDK13 Q14004 2/20 0.42
▸ CDK12 Q9NYV4 2/20 0.42
▸ CDK5 Q00535 4/20 0.40
▸ CDK1 P06493 4/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ TAOK1 Q7L7X3 2/20 0.40
▸ CCNT2 O60583 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CCNE2 O96020 1/20 0.40

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
SCHEMBL13885686 0.98 BCL6 (0.53) BCL6CDK2GSK3BCDK9CDK7
SCHEMBL13885687 0.91 CDK2 (0.52) BCL6CDK2GSK3BCDK9CDK7
SCHEMBL13885155 0.91 BCL6 (0.58) BCL6CDK2GSK3BCDK9CDK7
SCHEMBL13885151 0.91 BCL6 (0.58) BCL6CDK2GSK3BCDK9CDK7
SCHEMBL13885164 0.88 BCL6 (0.55) BCL6CDK2GSK3BCDK9CDK7
SCHEMBL14528836 0.84 GSK3B (0.50) BCL6CDK2GSK3BCDK9CDK7
SCHEMBL13885173 0.82 CDK2 (0.54) BCL6CDK2GSK3BCDK9CDK7
SCHEMBL13998537 0.79 BCL6 (0.63) BCL6CDK2GSK3BCDK9CDK7
SCHEMBL13998529 0.79 BCL6 (0.63) BCL6CDK2GSK3BCDK9CDK7
SCHEMBL13885698 0.79 CDK2 (0.52) CDK2GSK3BCCNE1CDK1

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
US-7514442-B2 Trisubstituted 4-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-04-07 — — US disclosed
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