SCHEMBL5689018

SCHEMBL5689018

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccccc4OCc4ccccc4)n3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.70
JAK3 P52333 1/20 0.70
BTK Q06187 1/20 0.70
TNK2 Q07912 1/20 0.70
SRC P12931 9/20 0.49
MAP3K7 O43318 2/20 0.47
MAP2K1 Q02750 2/20 0.47
MAPK1 P28482 1/20 0.47
FGFR1 P11362 3/20 0.46
HCK P08631 1/20 0.46
KDR P35968 2/20 0.45
MAPK14 Q16539 2/20 0.45
LRRK2 Q5S007 2/20 0.44
CYP3A4 P08684 1/20 0.44
KCNH2 Q12809 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
STAT6 P42226 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44

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
SCHEMBL5689444 0.93 LCK (0.81) LCKJAK3BTKTNK2SRC
SCHEMBL4507522 0.93 LCK (0.71) LCKJAK3BTKTNK2SRC
SCHEMBL5686334 0.92 LCK (0.61) LCKJAK3BTKTNK2SRC
SCHEMBL5689194 0.92 LCK (0.72) LCKJAK3BTKTNK2SRC
SCHEMBL5688959 0.91 LCK (0.71) LCKJAK3BTKTNK2SRC
SCHEMBL5686295 0.90 LCK (0.69) LCKJAK3BTKTNK2SRC
SCHEMBL5686215 0.90 JAK3 (0.66) LCKJAK3BTKTNK2SRC
SCHEMBL4488609 0.89 LCK (0.68) LCKJAK3BTKTNK2SRC
SCHEMBL5686211 0.89 LCK (0.68) LCKJAK3BTKTNK2SRC
SCHEMBL5689367 0.88 JAK3 (0.65) 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