SCHEMBL14043442

SCHEMBL14043442

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(S(=O)(=O)c4ccc(Br)cc4)C3)nc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.57
▸ LMNA P02545 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CHEK1 O14757 1/20 0.46
▸ NAMPT P43490 6/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CCNE1 P24864 1/20 0.41

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
SCHEMBL14301590 0.94 GSK3B (0.55) GSK3BLMNAMEN1MAPK1KMT2A
SCHEMBL14043358 0.93 GSK3B (0.53) GSK3BLMNAMEN1MAPK1KMT2A
SCHEMBL12953940 0.93 GSK3B (0.53) GSK3BLMNAMEN1MAPK1KMT2A
SCHEMBL14418704 0.93 GSK3B (0.53) GSK3BLMNAMEN1MAPK1KMT2A
SCHEMBL12953954 0.93 GSK3B (0.68) GSK3BLMNAMEN1MAPK1KMT2A
SCHEMBL13289378 0.92 GSK3B (0.53) GSK3BLMNAMEN1MAPK1KMT2A
SCHEMBL14301572 0.90 GSK3B (0.52) GSK3BLMNAMEN1MAPK1KMT2A
SCHEMBL14581372 0.88 GSK3B (0.52) GSK3BLMNAMEN1MAPK1KMT2A
SCHEMBL14418706 0.88 GSK3B (0.52) GSK3BLMNAMEN1MAPK1KMT2A
SCHEMBL12953062 0.88 GSK3B (0.58) GSK3BCHEK1CDK2CCNE1

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-2008130570-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
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