SCHEMBL5686240

SCHEMBL5686240

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccc(C(=O)N(CC)CC)cc4Cl)n3)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.48
BTK Q06187 2/20 0.48
LCK P06239 2/20 0.48
TNK2 Q07912 1/20 0.48
SRC P12931 9/20 0.44
SIK1 P57059 2/20 0.43
SIK2 Q9H0K1 2/20 0.43
SIK3 Q9Y2K2 2/20 0.43
PAK1 Q13153 2/20 0.42
MET P08581 1/20 0.39
FGFR1 P11362 2/20 0.39
HCK P08631 1/20 0.39
NPC1 O15118 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
MAPK14 Q16539 1/20 0.38
EGFR P00533 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
SCHEMBL4496045 0.91 LCK (0.48) JAK3BTKLCKTNK2SRC
SCHEMBL5686268 0.89 LCK (0.45) JAK3BTKLCKTNK2SRC
SCHEMBL4507505 0.89 SIK1 (0.56) JAK3BTKLCKTNK2SRC
SCHEMBL4501072 0.89 PAK1 (0.53) JAK3BTKLCKTNK2SRC
SCHEMBL4490885 0.87 LCK (0.55) JAK3BTKLCKTNK2SRC
SCHEMBL4494799 0.87 SIK1 (0.47) JAK3BTKLCKTNK2SRC
SCHEMBL4507650 0.87 JAK3 (0.59) JAK3BTKLCKTNK2SRC
SCHEMBL4490532 0.86 JAK3 (0.54) JAK3BTKLCKTNK2SRC
SCHEMBL6306385 0.86 LCK (0.56) JAK3BTKLCKTNK2SRC
SCHEMBL4508695 0.85 LCK (0.47) JAK3BTKLCKTNK2SRC

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