SCHEMBL5689155

SCHEMBL5689155

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccc(OCC(=O)N(CC)CC)cc4OC)n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.58
JAK3 P52333 2/20 0.58
BTK Q06187 1/20 0.58
TNK2 Q07912 1/20 0.58
SRC P12931 9/20 0.43
KDR P35968 4/20 0.43
MAPK14 Q16539 4/20 0.43
SIK1 P57059 1/20 0.43
MELK Q14680 1/20 0.43
SIK2 Q9H0K1 1/20 0.43
SIK3 Q9Y2K2 1/20 0.43
FGFR1 P11362 3/20 0.43
TEK Q02763 1/20 0.43
NTRK1 P04629 1/20 0.42
LYN P07948 1/20 0.42
BRD4 O60885 1/20 0.42
CSF1R P07333 1/20 0.41
DAPK1 P53355 1/20 0.41
HCK P08631 1/20 0.41
EGFR P00533 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
SCHEMBL4495355 0.94 LCK (0.56) LCKJAK3BTKTNK2SRC
SCHEMBL4488074 0.94 LCK (0.60) LCKJAK3BTKTNK2SRC
SCHEMBL4494013 0.93 LCK (0.55) LCKJAK3BTKTNK2SRC
SCHEMBL4498281 0.91 LCK (0.58) LCKJAK3BTKTNK2SRC
SCHEMBL5689100 0.90 LCK (0.56) LCKJAK3BTKTNK2SRC
SCHEMBL5688959 0.87 LCK (0.71) LCKJAK3BTKTNK2SRC
SCHEMBL5686436 0.86 LCK (0.61) LCKJAK3BTKTNK2SRC
SCHEMBL5686861 0.85 LCK (0.62) LCKJAK3BTKTNK2SRC
SCHEMBL4498790 0.85 SIK1 (0.55) LCKJAK3BTKTNK2SRC
SCHEMBL4500816 0.85 LCK (0.55) LCKJAK3BTKTNK2SRC

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