SCHEMBL13289569

SCHEMBL13289569

Bc1cnn2c(NCCNS(=O)(=O)c3ccccc3Br)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.51
▸ GSK3B P49841 9/20 0.49
▸ CCNA2 P20248 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ RECQL P46063 1/20 0.35
▸ CCNE1 P24864 1/20 0.33

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
SCHEMBL13121279 0.92 CDK2 (0.60) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL14546009 0.92 CDK2 (0.46) CDK2GSK3BCCNA2CCNA1
SCHEMBL13289547 0.91 CDK2 (0.46) CDK2GSK3BCCNA2CCNA1
SCHEMBL13289063 0.90 GSK3B (0.45) CDK2GSK3BCCNA2CCNA1
SCHEMBL13289128 0.88 CDK2 (0.44) CDK2GSK3B
SCHEMBL13289301 0.88 CDK2 (0.46) CDK2GSK3B
SCHEMBL13288981 0.88 CDK2 (0.46) CDK2GSK3BCCNA2CCNA1
SCHEMBL13121230 0.87 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13289317 0.87 CDK2 (0.43) CDK2GSK3B
SCHEMBL13121186 0.87 CDK2 (0.58) CDK2GSK3BCCNA2CCNA1RECQL

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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