SCHEMBL14545227

SCHEMBL14545227

CN(Cc1cccnc1)c1cc(C2CCCN(C(=O)Cc3cccs3)C2)nc2c(Br)cnn12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.45
▸ HPGD P15428 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ USP2 O75604 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CDK2 P24941 2/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAP3K12 Q12852 1/20 0.36

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
SCHEMBL12954083 0.85 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13118871 0.77 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL13119103 0.75 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL14050841 0.75 GSK3B (0.49) GSK3BSMN1; SMN2CDK2CCNE1MEN1
SCHEMBL12953714 0.75 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13119082 0.73 GSK3B (0.67) GSK3BCDK2CCNE1
SCHEMBL13119038 0.73 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL13119099 0.73 GSK3B (0.66) GSK3BCDK2CCNE1
SCHEMBL12952884 0.72 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL14418838 0.72 GSK3B (0.65) GSK3BCDK2CCNE1

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
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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