SCHEMBL13288977

SCHEMBL13288977

Bc1cnn2c(NCc3cccc(CNS(=O)(=O)c4cccc(OC)c4)c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.47
▸ GSK3B P49841 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ GNRHR P30968 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL13289447 0.91 GSK3B (0.46) CDK2GSK3BALDH1A1MEN1KMT2A
SCHEMBL13120635 0.91 CDK2 (0.59) CDK2GSK3BALDH1A1MAPTCYP19A1
SCHEMBL12954278 0.91 CDK2 (0.52) CDK2GSK3BALDH1A1MAPTMEN1
SCHEMBL13288958 0.90 GSK3B (0.46) CDK2GSK3BALDH1A1MEN1KMT2A
SCHEMBL13289431 0.90 CDK2 (0.49) CDK2GSK3BMEN1KMT2ACYP19A1
SCHEMBL13289274 0.89 GSK3B (0.46) CDK2GSK3BALDH1A1MEN1KMT2A
SCHEMBL13288964 0.89 ALDH1A1 (0.48) CDK2GSK3BALDH1A1MEN1KMT2A
SCHEMBL13120682 0.87 CDK2 (0.62) CDK2GSK3BALDH1A1MAPTMEN1
SCHEMBL13289432 0.86 CDK2 (0.47) CDK2GSK3BCYP19A1NAMPT
SCHEMBL13288973 0.86 CDK2 (0.48) CDK2GSK3BALDH1A1MAPTCYP19A1

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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