SCHEMBL1667710

SCHEMBL1667710

C[C@@H]1CC[C@H](C)N1c1c(C#N)c2cccnc2n1-c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP14 P54578 1/20 0.39
ELANE P08246 9/20 0.37
KDM4E B2RXH2 1/20 0.36
PDE4B Q07343 4/20 0.35
PDE4D Q08499 1/20 0.33
PIK3CD O00329 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
PDK1 Q15118 2/20 0.33
PDK2 Q15119 2/20 0.33
PDK3 Q15120 2/20 0.33
PDK4 Q16654 2/20 0.33

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
SCHEMBL1667713 1.00 USP14 (0.39) USP14ELANEKDM4EPDE4BPDE4D
SCHEMBL1667847 0.81 USP14 (0.46) USP14ELANEKDM4EPDE4BPDE4D
SCHEMBL1667703 0.81 USP14 (0.41) USP14ELANEKDM4EKDM4D
SCHEMBL1667576 0.76 KDM4E (0.41) USP14ELANEKDM4EPDE4BKDM4D
SCHEMBL1667769 0.74 ELANE (0.39) USP14ELANEKDM4EPDE4BPDE4D
SCHEMBL1667600 0.74 ELANE (0.38) USP14ELANEKDM4EPDE4BPDE4D
SCHEMBL1667597 0.74 ELANE (0.38) USP14ELANEKDM4EPDE4BPDE4D
SCHEMBL1667598 0.74 ELANE (0.38) USP14ELANEKDM4EPDE4BPDE4D
SCHEMBL1668109 0.71 BRD4 (0.38) USP14ELANEKDM4EPDE4BKDM4D
SCHEMBL1667674 0.70 MAPT (0.49) USP14PDE4B

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-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO claimed