SCHEMBL13289137

SCHEMBL13289137

Bc1cnn2c(NCCCN(C)S(=O)(=O)c3cccs3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.41
▸ CDK2 P24941 4/20 0.41
▸ MAPT P10636 4/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ CCR6 P51684 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 3/20 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
SCHEMBL13121308 0.91 GSK3B (0.54) GSK3BCDK2MAPTNPSR1KDM4E
SCHEMBL13289585 0.90 GSK3B (0.41) GSK3BCDK2MAPTNPSR1KDM4E
SCHEMBL13289396 0.88 GSK3B (0.43) GSK3BCDK2MAPTNPSR1KDM4E
SCHEMBL13289412 0.88 GSK3B (0.47) GSK3BCDK2MAPTNPSR1KDM4E
SCHEMBL13289454 0.86 GSK3B (0.53) GSK3BCDK2MAPTNPSR1KDM4E
SCHEMBL13289153 0.86 GSK3B (0.45) GSK3BCDK2MAPTNPSR1KDM4E
SCHEMBL13289361 0.86 GSK3B (0.42) GSK3BCDK2MAPTNPSR1KDM4E
SCHEMBL13289448 0.86 KDM4E (0.41) GSK3BCDK2MAPTNPSR1KDM4E
SCHEMBL13289578 0.86 CDK2 (0.43) GSK3BCDK2MAPTNPSR1KDM4E
SCHEMBL13289147 0.85 GSK3B (0.38) GSK3BCDK2MAPTNPSR1KDM4E

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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