SCHEMBL5686331

SCHEMBL5686331

CCCN1CCN(CCOc2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccc(OCC(=O)N5CCCC5)cc4OC)n3)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.45
TNK2 Q07912 4/20 0.45
BTK Q06187 3/20 0.45
JAK3 P52333 2/20 0.45
KDR P35968 7/20 0.45
SRC P12931 5/20 0.45
MAPK14 Q16539 3/20 0.45
SIK1 P57059 2/20 0.40
SIK2 Q9H0K1 2/20 0.40
SIK3 Q9Y2K2 2/20 0.40
SYK P43405 1/20 0.39
TTK P33981 1/20 0.39
MCHR1 Q99705 1/20 0.39
CSF1R P07333 2/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL4495232 0.94 LCK (0.43) LCKTNK2BTKJAK3KDR
SCHEMBL4510853 0.93 LCK (0.51) LCKTNK2BTKJAK3KDR
SCHEMBL4496978 0.93 LCK (0.52) LCKTNK2BTKJAK3KDR
SCHEMBL5689208 0.90 LCK (0.47) LCKTNK2BTKJAK3KDR
SCHEMBL4504458 0.89 LCK (0.50) LCKTNK2BTKJAK3KDR
SCHEMBL5686310 0.89 LCK (0.55) LCKTNK2BTKJAK3KDR
SCHEMBL4496675 0.89 BTK (0.46) LCKTNK2BTKJAK3KDR
SCHEMBL4509428 0.88 LCK (0.50) LCKTNK2BTKJAK3KDR
SCHEMBL5686194 0.87 LCK (0.47) LCKTNK2BTKJAK3KDR
SCHEMBL5689088 0.87 LCK (0.48) LCKTNK2BTKJAK3KDR

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