SCHEMBL20937

SCHEMBL20937

CC(CNC(=O)c1ccc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 11/20 0.71
TLK2 Q86UE8 5/20 0.66
PDPK1 O15530 3/20 0.66
JAK3 P52333 3/20 0.66
CDK1 P06493 1/20 0.61
CCNB1 P14635 1/20 0.61
NEK2 P51955 1/20 0.61

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
SCHEMBL5368518 0.83 PAK4 (0.75) PAK4TLK2PDPK1JAK3CDK1
SCHEMBL25738 0.81 PAK4 (0.77) PAK4TLK2PDPK1JAK3CDK1
SCHEMBL20944 0.80 TLK2 (1.00) PAK4TLK2PDPK1JAK3CDK1
SCHEMBL20945 0.80 TLK2 (1.00) PAK4TLK2PDPK1JAK3CDK1
SCHEMBL5363197 0.80 TLK2 (0.80) PAK4TLK2PDPK1JAK3CDK1
SCHEMBL12473990 0.80 PAK4 (0.78) PAK4TLK2PDPK1JAK3CDK1
SCHEMBL12473995 0.80 PAK4 (0.78) PAK4TLK2PDPK1JAK3CDK1
SCHEMBL13080513 0.79 TLK2 (1.00) PAK4TLK2PDPK1JAK3CDK1
SCHEMBL5361523 0.78 PDPK1 (1.00) PAK4TLK2PDPK1JAK3CDK1
SCHEMBL5728671 0.78 PDPK1 (1.00) PAK4TLK2PDPK1JAK3CDK1

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-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO disclosed