SCHEMBL14547159

SCHEMBL14547159

C=C/C=C\C(=C/C)Nc1cc(C2CCCN(C(=O)OCc3ccccc3)C2)nc2c(Br)cnn12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.40
▸ JAK2 O60674 3/20 0.39
▸ JAK1 P23458 3/20 0.39
▸ TYK2 P29597 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ TGM2 P21980 4/20 0.36
▸ TGM1 P22735 4/20 0.36
▸ TRPC3 Q13507 2/20 0.36
▸ TRPC7 Q9HCX4 2/20 0.36
▸ LCK P06239 2/20 0.36
▸ F13A1 P00488 3/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ BCL9 O00512 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ PDE4B Q07343 1/20 0.35

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
SCHEMBL14547312 0.92 TRPC3 (0.43) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL12953255 0.83 CHEK1 (0.48) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL13998622 0.81 GSK3B (0.48) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL12953558 0.80 GSK3B (0.50) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL12953762 0.80 GSK3B (0.51) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL11931133 0.80 GSK3B (0.49) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL12953232 0.80 TRPC3 (0.44) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL14547315 0.79 GSK3B (0.48) GSK3B
SCHEMBL13998621 0.79 GSK3B (0.52) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL12954179 0.79 GSK3B (0.67) GSK3B

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-2007044401-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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