SCHEMBL5686131

SCHEMBL5686131

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4cccc(NC(C)=O)c4)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.61
JAK3 P52333 2/20 0.61
BTK Q06187 1/20 0.61
TNK2 Q07912 1/20 0.61
EGFR P00533 7/20 0.52
JAK2 O60674 1/20 0.52
BLK P51451 1/20 0.52
BMX P51813 1/20 0.52
MAPK14 Q16539 1/20 0.51
SRC P12931 6/20 0.51
BRD4 O60885 1/20 0.46
HCK P08631 1/20 0.46
FGFR1 P11362 1/20 0.46
NUAK2 Q9H093 2/20 0.46
CSF1R P07333 2/20 0.46
NUAK1 O60285 1/20 0.45
SYK P43405 1/20 0.45

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
SCHEMBL4489780 0.92 LCK (0.61) LCKJAK3BTKTNK2EGFR
SCHEMBL5689409 0.91 LCK (0.61) LCKJAK3BTKTNK2EGFR
SCHEMBL5686215 0.91 JAK3 (0.66) LCKJAK3BTKTNK2EGFR
SCHEMBL5686375 0.91 JAK3 (0.60) LCKJAK3BTKTNK2EGFR
SCHEMBL5689367 0.90 JAK3 (0.65) LCKJAK3BTKTNK2EGFR
SCHEMBL5686810 0.89 LCK (0.58) LCKJAK3BTKTNK2EGFR
SCHEMBL4497418 0.88 LCK (0.59) LCKJAK3BTKTNK2EGFR
SCHEMBL5686861 0.88 LCK (0.62) LCKJAK3BTKTNK2MAPK14
SCHEMBL5686394 0.87 JAK3 (0.56) LCKJAK3BTKTNK2EGFR
SCHEMBL5688959 0.87 LCK (0.71) LCKJAK3BTKTNK2MAPK14

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