SCHEMBL14043149

SCHEMBL14043149

Bc1cnn2c(N)cc(C3CCCCC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.52
▸ CCNA2 P20248 16/20 0.52
▸ CDK2 P24941 16/20 0.52
▸ CCNA1 P78396 16/20 0.52
▸ HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL13304887 0.86 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1
SCHEMBL13304791 0.83 GSK3B (0.39) CHEK1CCNA2CDK2CCNA1
SCHEMBL12953557 0.83 CHEK1 (0.73) CHEK1CCNA2CDK2CCNA1
SCHEMBL14516264 0.76 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931272 0.76 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL13304821 0.76 GSK3B (0.53) CHEK1CCNA2CDK2CCNA1
SCHEMBL14516261 0.75 CCNA2 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL14231706 0.74 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1
SCHEMBL13305036 0.73 GSK3B (0.55) CHEK1CCNA2CDK2CCNA1
SCHEMBL15026293 0.72 CHEK1 (0.64) 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-2008130570-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
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