SCHEMBL1019488

SCHEMBL1019488

CC(C)(C)N(CC1CCN(c2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2F)CC1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 15/20 0.51
SYK P43405 1/20 0.44
PTK2 Q05397 3/20 0.43
PTK2B Q14289 3/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK7 P50613 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 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
SCHEMBL1070941 0.87 ULK1 (0.53) ULK1SYKPTK2PTK2BCDK1
SCHEMBL4305668 0.86 ULK1 (0.55) ULK1SYKPTK2PTK2B
SCHEMBL4305660 0.85 ULK1 (0.51) ULK1SYKPTK2PTK2BJAK2
SCHEMBL1015170 0.83 ULK1 (0.53) ULK1SYKPTK2PTK2BCDK1
SCHEMBL1017516 0.82 ULK1 (0.51) ULK1SYKPTK2PTK2BJAK2
SCHEMBL1019485 0.81 ULK1 (0.52) ULK1SYKPTK2PTK2BJAK2
SCHEMBL1018051 0.81 JAK3 (0.52) JAK2JAK1TYK2JAK3
SCHEMBL12085355 0.79 ULK1 (0.50) ULK1SYKPTK2PTK2BCDK1
SCHEMBL1017838 0.79 SYK (0.43) SYKJAK2JAK1TYK2JAK3
SCHEMBL1071647 0.78 ULK1 (0.55) ULK1SYKPTK2PTK2BJAK2

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