SCHEMBL5686156

SCHEMBL5686156

CCCN1CCN(CCOc2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4cccc5c4OC(C)(C)C5)n3)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.47
TNK2 Q07912 3/20 0.47
BTK Q06187 2/20 0.47
JAK3 P52333 1/20 0.47
SIK1 P57059 2/20 0.44
SIK2 Q9H0K1 2/20 0.44
SIK3 Q9Y2K2 2/20 0.44
KDR P35968 4/20 0.43
SRC P12931 3/20 0.43
MET P08581 9/20 0.40
MAPK14 Q16539 2/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4490786 0.93 LCK (0.44) LCKTNK2BTKJAK3SIK1
SCHEMBL4490661 0.93 SIK1 (0.47) LCKTNK2BTKJAK3SIK1
SCHEMBL4497488 0.91 TNK2 (0.48) LCKTNK2BTKJAK3SIK1
SCHEMBL4500568 0.91 BTK (0.47) LCKTNK2BTKJAK3SIK1
SCHEMBL5686169 0.88 LCK (0.57) LCKTNK2BTKJAK3SIK1
SCHEMBL5686310 0.87 LCK (0.55) LCKTNK2BTKJAK3SIK1
SCHEMBL5686189 0.87 JAK3 (0.49) LCKTNK2BTKJAK3SIK1
SCHEMBL4503837 0.86 CSF1R (0.44) LCKTNK2BTKJAK3SIK1
SCHEMBL4481688 0.85 SIK1 (0.47) LCKTNK2BTKJAK3SIK1
SCHEMBL4488643 0.85 SIK1 (0.61) LCKTNK2BTKJAK3SIK1

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 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