SCHEMBL14050764

SCHEMBL14050764

Bc1cnn2c(NCc3ccc(C(=O)NC4CCCC4)cc3)cc(-c3ccccc3F)nc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.53
▸ CDK2 P24941 6/20 0.51
▸ CCNA2 P20248 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ HDAC1 Q13547 1/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PLAU P00749 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
SCHEMBL12954300 0.98 GSK3B (0.53) GSK3BCDK2CCNA2CCNA1HDAC1
SCHEMBL12953764 0.90 GSK3B (0.67) GSK3BCDK2CCNA2CCNA1
SCHEMBL12953016 0.89 GSK3B (0.67) GSK3BCDK2CCNA2CCNA1
SCHEMBL14050762 0.88 GSK3B (0.54) GSK3BCDK2CCNA2CCNA1HDAC1
SCHEMBL13305398 0.87 GSK3B (0.54) GSK3BCDK2CCNA2CCNA1
SCHEMBL12953507 0.87 GSK3B (0.69) GSK3BCDK2CCNA2CCNA1
SCHEMBL13305326 0.87 GSK3B (0.56) GSK3BCDK2CCNA2CCNA1HDAC1
SCHEMBL14043293 0.86 GSK3B (0.49) GSK3BCDK2CCNA2CCNA1
SCHEMBL14050761 0.86 GSK3B (0.55) GSK3BCDK2CCNA2CCNA1HDAC1
SCHEMBL12953665 0.85 GSK3B (0.63) GSK3BCDK2CCNA2CCNA1

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-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
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