SCHEMBL14545996

SCHEMBL14545996

Cc1cnn2c(NCc3cccnc3)cc(C3CCCN(S(=O)(=O)c4cccc(OC(F)(F)F)c4)C3)nc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.48
▸ CHEK1 O14757 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NAMPT P43490 4/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38

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
SCHEMBL13120616 0.92 GSK3B (0.59) GSK3B
SCHEMBL14607252 0.92 GSK3B (0.48) GSK3BCHEK1LMNAUSP2NPSR1
SCHEMBL12953933 0.90 GSK3B (0.50) GSK3BCHEK1LMNAUSP2NPSR1
SCHEMBL12954428 0.85 GSK3B (0.61) GSK3BLMNASMN1; SMN2HTTMEN1
SCHEMBL13120580 0.85 GSK3B (0.62) GSK3BL3MBTL1KMT2A
SCHEMBL12954478 0.85 GSK3B (0.50) GSK3BCHEK1LMNAUSP2NPSR1
SCHEMBL14307160 0.84 GSK3B (0.51) GSK3BCHEK1LMNASMN1; SMN2HTT
SCHEMBL13120521 0.84 GSK3B (0.63) GSK3B
SCHEMBL13116990 0.84 GSK3B (0.59) GSK3BCHEK1LMNAUSP2NPSR1
SCHEMBL13120576 0.82 GSK3B (0.64) 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-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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