SCHEMBL5686155

SCHEMBL5686155

CCCNC(=O)c1ccc(Oc2nc(Nc3cc(OC)c(OC)c(OCCCN4CCN(C)CC4)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.46
LCK P06239 6/20 0.45
JAK3 P52333 2/20 0.45
BTK Q06187 2/20 0.45
TNK2 Q07912 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
SRC P12931 5/20 0.43
KDR P35968 5/20 0.43
MAPK14 Q16539 2/20 0.43
JAK2 O60674 1/20 0.43
MET P08581 1/20 0.43
FGFR1 P11362 1/20 0.43
ZAP70 P43403 1/20 0.43
SYK P43405 1/20 0.43
TEK Q02763 1/20 0.43
MAP3K7 O43318 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 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
SCHEMBL4482664 0.96 PTK2 (0.46) PTK2LCKJAK3BTKTNK2
SCHEMBL5686198 0.95 PTK2 (0.44) PTK2LCKJAK3BTKTNK2
SCHEMBL4490581 0.91 TBK1 (0.46) PTK2LCKJAK3BTKTNK2
SCHEMBL5686564 0.91 LCK (0.48) LCKJAK3BTKTNK2SRC
SCHEMBL4498752 0.91 PTK2 (0.48) PTK2LCKJAK3BTKTNK2
SCHEMBL4500423 0.90 PTK2 (0.45) PTK2LCKJAK3BTKTNK2
SCHEMBL4495245 0.90 LCK (0.45) PTK2LCKJAK3BTKTNK2
SCHEMBL5686501 0.90 LCK (0.43) PTK2LCKJAK3BTKTNK2
SCHEMBL4497446 0.89 TBK1 (0.45) PTK2LCKJAK3BTKTNK2
SCHEMBL4497970 0.89 LCK (0.46) PTK2LCKJAK3BTKTNK2

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