SCHEMBL5689102

SCHEMBL5689102

CCCN1CCN(C(=O)c2ccc(Oc3nc(Nc4ccc(OCCCN5CCCCC5)c(F)c4)ncc3C(=O)Nc3c(C)cccc3C)c(OC)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.48
LCK P06239 4/20 0.47
KDR P35968 3/20 0.47
SRC P12931 2/20 0.47
MAPK14 Q16539 2/20 0.47
BTK Q06187 3/20 0.45
JAK3 P52333 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MET P08581 7/20 0.43
SIK1 P57059 2/20 0.42
SIK2 Q9H0K1 2/20 0.42
SIK3 Q9Y2K2 2/20 0.42
TLR7 Q9NYK1 1/20 0.41
AXL P30530 1/20 0.41
LRRK2 Q5S007 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
SCHEMBL4498571 0.96 TNK2 (0.50) TNK2LCKKDRSRCMAPK14
SCHEMBL5689208 0.95 LCK (0.47) TNK2LCKKDRSRCMAPK14
SCHEMBL5686194 0.94 LCK (0.47) TNK2LCKKDRSRCMAPK14
SCHEMBL4499464 0.93 LCK (0.49) TNK2LCKKDRSRCMAPK14
SCHEMBL4490116 0.93 TNK2 (0.47) TNK2LCKKDRSRCMAPK14
SCHEMBL4498842 0.93 BTK (0.48) TNK2LCKKDRSRCMAPK14
SCHEMBL5689066 0.91 LCK (0.44) TNK2LCKKDRSRCMAPK14
SCHEMBL5688886 0.91 BTK (0.47) TNK2LCKKDRSRCBTK
SCHEMBL4496749 0.90 TNK2 (0.50) TNK2LCKKDRSRCMAPK14
SCHEMBL5686510 0.90 TNK2 (0.46) TNK2LCKKDRSRCMAPK14

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