SCHEMBL5686246

SCHEMBL5686246

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(Cl)cccc4Cl)c(Oc4ccccc4)n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.55
JAK3 P52333 2/20 0.55
LCK P06239 2/20 0.55
BTK Q06187 1/20 0.55
SRC P12931 7/20 0.54
MT-CO2 P00403 2/20 0.51
EGFR P00533 3/20 0.51
JAK2 O60674 1/20 0.51
BLK P51451 1/20 0.51
BMX P51813 1/20 0.51
HCK P08631 1/20 0.51
FGFR1 P11362 1/20 0.51
MAP3K7 O43318 3/20 0.50
MAP2K1 Q02750 2/20 0.50
CTSC P53634 1/20 0.48
MAPK14 Q16539 1/20 0.47
MAPK1 P28482 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL5686418 0.93 TNK2 (0.62) TNK2JAK3LCKBTKSRC
SCHEMBL5686410 0.93 CSF1R (0.54) TNK2JAK3LCKBTKSRC
SCHEMBL5686215 0.92 JAK3 (0.66) TNK2JAK3LCKBTKSRC
SCHEMBL4488277 0.91 JAK3 (0.60) TNK2JAK3LCKBTKSRC
SCHEMBL5689506 0.91 LCK (0.60) TNK2JAK3LCKBTKSRC
SCHEMBL5689367 0.90 JAK3 (0.65) TNK2JAK3LCKBTKSRC
SCHEMBL4500180 0.88 LCK (0.53) TNK2JAK3LCKBTKSRC
SCHEMBL5686861 0.85 LCK (0.62) TNK2JAK3LCKBTKSRC
SCHEMBL5686334 0.85 LCK (0.61) TNK2JAK3LCKBTKSRC
SCHEMBL5689409 0.84 LCK (0.61) TNK2JAK3LCKBTKSRC

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