SCHEMBL14545283

SCHEMBL14545283

Cc1cnn2c(NCc3cccnc3)cc(C3CCN(C4CCC(N)(c5ccccc5)CC4)CC3)nc12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.57
▸ CHEK1 O14757 1/20 0.45
▸ CDK2 P24941 5/20 0.44
▸ CCNE1 P24864 2/20 0.44

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
SCHEMBL14607258 0.91 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL14050830 0.87 GSK3B (0.68) GSK3BCHEK1CDK2CCNE1
SCHEMBL14545282 0.87 GSK3B (0.64) GSK3BCHEK1CDK2CCNE1
SCHEMBL13122118 0.81 GSK3B (0.67) GSK3BCDK2CCNE1
SCHEMBL13304607 0.79 GSK3B (0.79) GSK3BCHEK1CDK2CCNE1
SCHEMBL13304919 0.78 GSK3B (0.62) GSK3BCHEK1CDK2CCNE1
SCHEMBL13122091 0.78 GSK3B (0.82) GSK3BCDK2CCNE1
SCHEMBL13122098 0.78 GSK3B (0.84) GSK3BCDK2CCNE1
SCHEMBL13122117 0.78 GSK3B (0.78) GSK3BCDK2CCNE1
SCHEMBL13304983 0.78 GSK3B (0.61) 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-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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