SCHEMBL5686197

SCHEMBL5686197

CCCN1CCN(C(=O)CCc2ccc(Oc3nc(Nc4cccc(OCCCN5CCCCC5)c4)ncc3C(=O)Nc3c(C)cccc3C)c(OC)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.44
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44
TNK2 Q07912 1/20 0.44
MET P08581 9/20 0.42
EGFR P00533 3/20 0.39
FAAH O00519 1/20 0.38
AURKA O14965 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL4497065 0.93 LCK (0.42) LCKJAK3BTKTNK2MET
SCHEMBL4496243 0.93 BTK (0.44) LCKJAK3BTKTNK2MET
SCHEMBL4492554 0.92 LCK (0.48) LCKJAK3BTKTNK2MET
SCHEMBL5686510 0.92 TNK2 (0.46) LCKJAK3BTKTNK2MET
SCHEMBL4500871 0.90 LCK (0.47) LCKJAK3BTKTNK2MET
SCHEMBL4506744 0.89 LCK (0.48) LCKJAK3BTKTNK2MET
SCHEMBL4500225 0.88 TNK2 (0.48) LCKJAK3BTKTNK2MET
SCHEMBL4507173 0.87 BTK (0.47) LCKJAK3BTKTNK2MET
SCHEMBL4495901 0.87 MET (0.47) LCKJAK3BTKTNK2MET
SCHEMBL4496650 0.86 LCK (0.54) LCKJAK3BTKTNK2MET

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