SCHEMBL14043339

SCHEMBL14043339

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(Cc4ccccc4C(F)(F)F)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.56
▸ CHEK1 O14757 1/20 0.44
▸ CDK2 P24941 6/20 0.42
▸ CCNE1 P24864 2/20 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
SCHEMBL14418852 0.92 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1
SCHEMBL13122055 0.91 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL14050829 0.90 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289421 0.88 GSK3B (0.58) GSK3BCHEK1CDK2CCNE1
SCHEMBL12954150 0.88 GSK3B (0.58) GSK3BCHEK1CDK2CCNE1
SCHEMBL12954144 0.88 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289660 0.86 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289457 0.85 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL14043403 0.85 GSK3B (0.60) GSK3BCHEK1CDK2CCNE1
SCHEMBL12954219 0.85 GSK3B (0.54) 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 2 patents. 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
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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