SCHEMBL2486488

SCHEMBL2486488

CN(c1nc(-c2cc(=O)[nH]cn2)cc(=O)n1C)[C@@H]1CCCN(C(=O)C2CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.38
EGFR P00533 3/20 0.38
JAK1 P23458 3/20 0.35
JAK3 P52333 3/20 0.35
TTK P33981 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 2/20 0.32
TBK1 Q9UHD2 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32

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
SCHEMBL2486490 0.83 GSK3B (0.47)
SCHEMBL3754542 0.73 GSK3B (0.49)
SCHEMBL2485862 0.72 GSK3B (0.60)
SCHEMBL3749271 0.72 GSK3B (0.43)
SCHEMBL2487402 0.70 GSK3B (0.51)
SCHEMBL2491912 0.69 GSK3B (0.40)
SCHEMBL2527052 0.66 MAP4K4 (0.41)
SCHEMBL2491103 0.66 GSK3B (0.44)
SCHEMBL2489165 0.65 GSK3B (0.42)
SCHEMBL2489617 0.64 GSK3B (0.47)

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-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed