SCHEMBL14528946

SCHEMBL14528946

CC(F)S(=O)(=O)c1ccc(Nc2cc([C@H]3CCCN(C(=O)OCc4ccccc4)C3)nc3c(Br)cnn23)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ TYK2 P29597 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ TRPC3 Q13507 2/20 0.37
▸ TRPC7 Q9HCX4 2/20 0.37
▸ BCL9 O00512 2/20 0.37
▸ CTNNB1 P35222 2/20 0.37
▸ F13A1 P00488 3/20 0.37
▸ TGM2 P21980 3/20 0.37
▸ TGM1 P22735 3/20 0.37

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
SCHEMBL13885057 0.91 GSK3B (0.49) GSK3BCDK2JAK2JAK1TYK2
SCHEMBL13885699 0.90 GSK3B (0.43) GSK3BCDK2JAK2JAK1TYK2
SCHEMBL13998622 0.87 GSK3B (0.48) GSK3BCDK2JAK2JAK1TYK2
SCHEMBL13885055 0.83 GSK3B (0.51) GSK3BCDK2JAK2JAK1TYK2
SCHEMBL13998621 0.83 GSK3B (0.52) GSK3BCDK2JAK2JAK1TYK2
SCHEMBL12954179 0.79 GSK3B (0.67) GSK3BCDK2
SCHEMBL12953558 0.79 GSK3B (0.50) GSK3BCDK2JAK2JAK1TYK2
SCHEMBL12953762 0.78 GSK3B (0.51) GSK3BCDK2JAK2JAK1TYK2
SCHEMBL13998619 0.78 GRIN2B (0.52) GSK3BCDK2JAK2JAK1TYK2
SCHEMBL12953255 0.78 CHEK1 (0.48) GSK3BCDK2JAK2JAK1TYK2

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-1534712-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-05-16 — — EP disclosed
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