SCHEMBL14043346

SCHEMBL14043346

CBc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)C4(c5ccccc5)CC4)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.53
▸ CHEK1 O14757 1/20 0.44
▸ CDK2 P24941 5/20 0.41
▸ CCNE1 P24864 4/20 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
SCHEMBL13118909 0.89 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL14607107 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL13118964 0.86 GSK3B (0.68) GSK3BCDK2CCNE1
SCHEMBL12954070 0.85 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1
SCHEMBL13118982 0.85 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL12954066 0.85 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL14613385 0.81 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL13119175 0.81 GSK3B (0.66) GSK3BCDK2CCNE1
SCHEMBL13305560 0.80 GSK3B (0.65) GSK3BCHEK1CDK2CCNE1
SCHEMBL14418669 0.80 GSK3B (0.56) 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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