SCHEMBL5686349

SCHEMBL5686349

CCCN1CCN(C(=O)CCc2ccc(Oc3nc(Nc4ccc(OCC5CCCN(C)C5)c(F)c4)ncc3C(=O)Nc3c(C)cccc3C)c(OC)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 2/20 0.42
SIK2 Q9H0K1 2/20 0.42
SIK3 Q9Y2K2 2/20 0.42
TNK2 Q07912 4/20 0.42
LCK P06239 4/20 0.42
BTK Q06187 2/20 0.42
JAK3 P52333 1/20 0.42
EGFR P00533 2/20 0.38
IGF1R P08069 2/20 0.37
TTK P33981 2/20 0.36
ERBB2 P04626 1/20 0.36
KDR P35968 3/20 0.36
SRC P12931 2/20 0.36
MAPK14 Q16539 2/20 0.36
MAP4K1 Q92918 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL4494527 0.92 SIK1 (0.42) SIK1SIK2SIK3TNK2LCK
SCHEMBL4498424 0.92 LCK (0.47) SIK1SIK2SIK3TNK2LCK
SCHEMBL5686684 0.91 SIK1 (0.43) SIK1SIK2SIK3TNK2LCK
SCHEMBL4499267 0.89 LCK (0.45) SIK1SIK2SIK3TNK2LCK
SCHEMBL5686510 0.89 TNK2 (0.46) SIK1SIK2SIK3TNK2LCK
SCHEMBL4500415 0.88 SIK1 (0.43) SIK1SIK2SIK3TNK2LCK
SCHEMBL4492647 0.88 SIK1 (0.45) SIK1SIK2SIK3TNK2LCK
SCHEMBL4499837 0.87 LCK (0.42) SIK1SIK2SIK3TNK2LCK
SCHEMBL5686042 0.87 BTK (0.45) TNK2LCKBTKJAK3KDR
SCHEMBL4491378 0.87 LRRK2 (0.46) SIK1SIK2SIK3TNK2LCK

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 4 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
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 disclosed
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 disclosed