SCHEMBL7367414

SCHEMBL7367414

COC(=O)c1cc(C#N)ccc1NC1CCC(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.48
HSP90AA1 P07900 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
IRAK1 P51617 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PDE5A O76074 2/20 0.40
CHEK1 O14757 2/20 0.39
CHEK2 O96017 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL6945540 0.90 YAP1 (0.59) YAP1IRAK4CHEK1CHEK2
SCHEMBL15635836 0.90 YAP1 (0.56) YAP1IRAK4CCNCCDK8CLK1
SCHEMBL7370553 0.86 YAP1 (0.45) YAP1IRAK4CCNCCDK8CLK1
SCHEMBL7370214 0.86 YAP1 (0.45) YAP1IRAK4CCNCCDK8CLK1
SCHEMBL7367463 0.86 HSP90AA1 (0.44) HSP90AA1SCN9A
SCHEMBL7367462 0.86 HSP90AA1 (0.44) HSP90AA1SCN9A
SCHEMBL17363152 0.80 YAP1 (0.47) YAP1IRAK4CCNCCDK8CLK1
SCHEMBL6940663 0.77 MAPT (0.52) YAP1HSP90AA1
SCHEMBL6941192 0.77 MAPT (0.52) YAP1HSP90AA1
SCHEMBL7404179 0.76 PDE5A (0.48) PDE5ACHEK1

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-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 WO disclosed