SCHEMBL5686351

SCHEMBL5686351

CCCNC(=O)c1ccc(Oc2nc(Nc3ccc(OCC4CCCN(C)C4)c(F)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 2/20 0.45
SIK2 Q9H0K1 2/20 0.45
SIK3 Q9Y2K2 2/20 0.45
LCK P06239 2/20 0.45
JAK3 P52333 2/20 0.45
BTK Q06187 1/20 0.45
TNK2 Q07912 1/20 0.45
PTK2 Q05397 11/20 0.41
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
MAPK14 Q16539 1/20 0.40
SCN9A Q15858 2/20 0.40
TTK P33981 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
SCHEMBL4483762 0.95 SIK1 (0.45) SIK1SIK2SIK3LCKJAK3
SCHEMBL4488969 0.93 PTK2 (0.49) SIK1SIK2SIK3LCKJAK3
SCHEMBL4481299 0.92 SIK1 (0.47) SIK1SIK2SIK3LCKJAK3
SCHEMBL4507188 0.91 SIK1 (0.45) SIK1SIK2SIK3LCKJAK3
SCHEMBL4502168 0.90 SIK1 (0.46) SIK1SIK2SIK3LCKJAK3
SCHEMBL5686684 0.90 SIK1 (0.43) SIK1SIK2SIK3LCKJAK3
SCHEMBL4497858 0.90 JAK3 (0.52) SIK1SIK2SIK3LCKJAK3
SCHEMBL4498424 0.90 LCK (0.47) SIK1SIK2SIK3LCKJAK3
SCHEMBL5686673 0.88 TNK2 (0.53) SIK1SIK2SIK3LCKJAK3
SCHEMBL4496641 0.88 LCK (0.59) SIK1SIK2SIK3LCKJAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP claimed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO claimed