SCHEMBL13288775

SCHEMBL13288775

Bc1cnn2c(NCc3ccc(CNC(=O)c4ccsc4)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.52
▸ GSK3B P49841 5/20 0.48
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ SCD O00767 2/20 0.35

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
SCHEMBL13288786 0.95 CDK2 (0.49) CDK2GSK3BKDM4EPDE2APDE10A
SCHEMBL13119436 0.90 CDK2 (0.66) CDK2GSK3B
SCHEMBL13288769 0.88 CDK2 (0.55) CDK2GSK3BPDE2APDE10A
SCHEMBL13288668 0.88 CDK2 (0.55) CDK2GSK3BPDE2APDE10A
SCHEMBL13288768 0.87 CDK2 (0.54) CDK2GSK3B
SCHEMBL13288782 0.87 CDK2 (0.54) CDK2GSK3BKDM4E
SCHEMBL13288882 0.87 CDK2 (0.54) CDK2GSK3BPDE2APDE10A
SCHEMBL13119301 0.85 CDK2 (0.62) CDK2GSK3B
SCHEMBL13289148 0.85 CDK2 (0.52) CDK2GSK3BPDE2APDE10AKLKB1
SCHEMBL13288866 0.84 CDK2 (0.59) CDK2GSK3B

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
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
Send feedback