SCHEMBL14547289

SCHEMBL14547289

Cn1cc(-c2cnn3c(Nc4cc(C5CCNCC5)ns4)cc([C@H]4CCCNC4)nc23)cn1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.83
▸ CCNA2 P20248 3/20 0.83
▸ CDK2 P24941 3/20 0.83
▸ CCNA1 P78396 3/20 0.83

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
SCHEMBL11931081 1.00 CHEK1 (0.83) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931082 0.91 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL14516629 0.90 CHEK1 (0.68) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930918 0.84 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931092 0.84 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931071 0.82 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931085 0.82 CHEK1 (0.87) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930916 0.82 CHEK1 (0.98) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930920 0.82 CHEK1 (0.82) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931090 0.81 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1

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-2007044401-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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