SCHEMBL1019485

SCHEMBL1019485

CC(C)(C)C(NC(=O)O)C1CCN(c2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 13/20 0.52
PTK2 Q05397 2/20 0.45
SYK P43405 1/20 0.44
PTK2B Q14289 2/20 0.42
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
JAK3 P52333 3/20 0.40

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
SCHEMBL1071647 0.83 ULK1 (0.55) ULK1PTK2SYKPTK2BJAK2
SCHEMBL12085355 0.83 ULK1 (0.50) ULK1PTK2SYKPTK2B
SCHEMBL4305660 0.82 ULK1 (0.51) ULK1PTK2SYKPTK2BJAK2
SCHEMBL4305668 0.82 ULK1 (0.55) ULK1PTK2SYKPTK2B
SCHEMBL1070413 0.82 ULK1 (0.50) ULK1PTK2SYKPTK2BJAK2
SCHEMBL1019488 0.81 ULK1 (0.51) ULK1PTK2SYKPTK2BJAK2
SCHEMBL1070941 0.81 ULK1 (0.53) ULK1PTK2SYKPTK2B
SCHEMBL1018050 0.80 JAK3 (0.53) JAK2JAK1TYK2JAK3
SCHEMBL1015170 0.79 ULK1 (0.53) ULK1PTK2SYKPTK2B
SCHEMBL12082916 0.79 ULK1 (0.45) ULK1PTK2SYKPTK2B

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-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed