SCHEMBL5686198

SCHEMBL5686198

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.44
TBK1 Q9UHD2 1/20 0.44
LCK P06239 6/20 0.43
JAK3 P52333 5/20 0.42
BTK Q06187 5/20 0.42
TNK2 Q07912 1/20 0.42
KDR P35968 6/20 0.41
SRC P12931 5/20 0.41
MAPK14 Q16539 2/20 0.41
JAK2 O60674 1/20 0.41
MET P08581 1/20 0.41
FGFR1 P11362 1/20 0.41
ZAP70 P43403 1/20 0.41
SYK P43405 1/20 0.41
TEK Q02763 1/20 0.41
EGFR P00533 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4500423 0.96 PTK2 (0.45) PTK2TBK1LCKJAK3BTK
SCHEMBL5686155 0.95 PTK2 (0.46) PTK2TBK1LCKJAK3BTK
SCHEMBL4510469 0.92 TBK1 (0.44) PTK2TBK1LCKJAK3BTK
SCHEMBL4497538 0.91 PTK2 (0.47) PTK2TBK1LCK
SCHEMBL4495381 0.91 TBK1 (0.44) TBK1LCKJAK3BTKTNK2
SCHEMBL4482664 0.90 PTK2 (0.46) PTK2TBK1LCKJAK3BTK
SCHEMBL4488652 0.90 TBK1 (0.44) PTK2TBK1LCKJAK3BTK
SCHEMBL5686972 0.89 LCK (0.45) LCKJAK3BTKTNK2KDR
SCHEMBL4492809 0.87 SRC (0.46) TBK1LCKJAK3BTKTNK2
SCHEMBL5686167 0.86 LCK (0.53) TBK1LCKJAK3BTKTNK2

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