SCHEMBL5686189

SCHEMBL5686189

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4cccc5c4OC(C)(C)C5)n3)cc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.49
LCK P06239 1/20 0.49
BTK Q06187 1/20 0.49
TNK2 Q07912 1/20 0.49
SIK1 P57059 2/20 0.46
SIK2 Q9H0K1 2/20 0.46
SIK3 Q9Y2K2 2/20 0.46
SRC P12931 9/20 0.45
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MET P08581 1/20 0.40
HCK P08631 1/20 0.40
FGFR1 P11362 1/20 0.40
NPC1 O15118 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PAK1 Q13153 1/20 0.39

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
SCHEMBL4498139 0.90 LCK (0.46) JAK3LCKBTKTNK2SIK1
SCHEMBL4492970 0.87 SIK1 (0.51) JAK3LCKBTKTNK2SIK1
SCHEMBL4488643 0.87 SIK1 (0.61) JAK3LCKBTKTNK2SIK1
SCHEMBL5686156 0.87 LCK (0.47) JAK3LCKBTKTNK2SIK1
SCHEMBL4505318 0.84 LCK (0.60) JAK3LCKBTKTNK2SIK1
SCHEMBL4500525 0.83 LCK (0.57) JAK3LCKBTKTNK2SRC
SCHEMBL4507356 0.82 SIK1 (0.54) JAK3LCKBTKTNK2SIK1
SCHEMBL4484237 0.82 LCK (0.55) JAK3LCKBTKTNK2SRC
SCHEMBL4490661 0.82 SIK1 (0.47) JAK3LCKBTKTNK2SIK1
SCHEMBL4497579 0.82 JAK3 (0.67) JAK3LCKBTKTNK2SIK1

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