SCHEMBL14050928

SCHEMBL14050928

Bc1cnn2c(NCc3cccc(C(=C)O)c3)cc(-c3ccccc3F)nc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.61
▸ CDK2 P24941 9/20 0.55
▸ CCNA2 P20248 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CCNE1 P24864 1/20 0.39
▸ GPR39 O43194 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
SCHEMBL14545221 0.91 GSK3B (0.61) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL12954297 0.89 GSK3B (0.79) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14043290 0.84 GSK3B (0.60) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL12953665 0.83 GSK3B (0.63) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL13288607 0.83 GSK3B (0.52) GSK3BCDK2CCNA2CCNA1
SCHEMBL13304765 0.83 CDK2 (0.77) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13146486 0.82 CDK2 (0.79) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14043292 0.81 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL14050780 0.81 GSK3B (0.60) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13304609 0.80 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1MEN1

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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