SCHEMBL5686284

SCHEMBL5686284

CCCN1CCN(CCOc2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4cccc(CCC(=O)N(CC)CC)c4)n3)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.46
TNK2 Q07912 3/20 0.46
BTK Q06187 2/20 0.46
JAK3 P52333 1/20 0.46
KDR P35968 4/20 0.41
SRC P12931 3/20 0.41
SIK1 P57059 2/20 0.40
SIK2 Q9H0K1 2/20 0.40
SIK3 Q9Y2K2 2/20 0.40
MAPK14 Q16539 2/20 0.39
MET P08581 5/20 0.38
ITK Q08881 2/20 0.37
EGFR P00533 1/20 0.37
AXL P30530 1/20 0.37
SYK P43405 2/20 0.36

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
SCHEMBL4499723 0.94 LCK (0.44) LCKTNK2BTKJAK3KDR
SCHEMBL4485243 0.93 LCK (0.46) LCKTNK2BTKJAK3KDR
SCHEMBL5686829 0.93 LCK (0.47) LCKTNK2BTKJAK3KDR
SCHEMBL4499574 0.92 TNK2 (0.47) LCKTNK2BTKJAK3KDR
SCHEMBL5686134 0.87 LCK (0.47) LCKTNK2BTKJAK3KDR
SCHEMBL4499611 0.87 LCK (0.45) LCKTNK2BTKJAK3KDR
SCHEMBL4487836 0.86 LCK (0.48) LCKTNK2BTKJAK3KDR
SCHEMBL4503495 0.86 KDR (0.48) LCKTNK2BTKJAK3KDR
SCHEMBL4497863 0.86 LCK (0.46) LCKTNK2BTKJAK3KDR
SCHEMBL4499540 0.86 BTK (0.44) LCKTNK2BTKJAK3SRC

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