SCHEMBL12954478

SCHEMBL12954478

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(S(=O)(=O)c4cccc(OC)c4)C3)nc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ LMNA P02545 4/20 0.42
▸ USP2 O75604 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NAMPT P43490 4/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13120580 0.92 GSK3B (0.62) GSK3BL3MBTL1KMT2A
SCHEMBL14607252 0.91 GSK3B (0.48) GSK3BL3MBTL1KMT2ACHEK1LMNA
SCHEMBL14418706 0.90 GSK3B (0.52) GSK3BL3MBTL1KMT2ACHEK1LMNA
SCHEMBL14581372 0.90 GSK3B (0.52) GSK3BL3MBTL1KMT2ACHEK1LMNA
SCHEMBL12953940 0.88 GSK3B (0.53) GSK3BL3MBTL1KMT2ACHEK1LMNA
SCHEMBL14301590 0.88 GSK3B (0.55) GSK3BL3MBTL1KMT2ACHEK1LMNA
SCHEMBL14301572 0.87 GSK3B (0.52) GSK3BL3MBTL1KMT2ACHEK1LMNA
SCHEMBL14043358 0.87 GSK3B (0.53) GSK3BL3MBTL1KMT2ACHEK1LMNA
SCHEMBL14043442 0.87 GSK3B (0.57) GSK3BL3MBTL1KMT2ACHEK1LMNA
SCHEMBL14418704 0.87 GSK3B (0.53) GSK3BL3MBTL1KMT2ACHEK1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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