SCHEMBL13288963

SCHEMBL13288963

Bc1cnn2c(NCc3cccc(CNS(=O)(=O)c4ccccc4C(=O)OC)c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.46
▸ GSK3B P49841 7/20 0.46
▸ AQP1 P29972 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ SLC40A1 Q9NP59 1/20 0.34
▸ NPY5R Q15761 1/20 0.34

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
SCHEMBL13120646 0.91 CDK2 (0.57) CDK2GSK3BCCNA2CCNA1
SCHEMBL13288974 0.89 CDK2 (0.52) CDK2GSK3BMEN1KMT2ACCNA2
SCHEMBL13288959 0.89 CDK2 (0.43) CDK2GSK3BMEN1KMT2ACCNA2
SCHEMBL13289430 0.88 GSK3B (0.49) CDK2GSK3BMEN1KMT2ACCNA2
SCHEMBL13289007 0.87 GSK3B (0.41) CDK2GSK3BMAPTCA12CA9
SCHEMBL13289440 0.86 CDK2 (0.51) CDK2GSK3BCCNA2CCNA1MAPT
SCHEMBL13288964 0.85 ALDH1A1 (0.48) CDK2GSK3BMEN1KMT2A
SCHEMBL12954278 0.84 CDK2 (0.52) CDK2GSK3BMEN1KMT2ACCNA2
SCHEMBL13289375 0.84 CDK2 (0.54) CDK2GSK3BMEN1KMT2ACCNA2
SCHEMBL13288977 0.84 CDK2 (0.47) CDK2GSK3BMEN1KMT2AMAPT

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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