SCHEMBL5689293

SCHEMBL5689293

CN1CCN(CCCOc2ccc(Nc3ncc(C(N)=O)c(-c4c(Cl)cc(F)cc4Cl)n3)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 6/20 0.55
BTK Q06187 5/20 0.46
JAK3 P52333 4/20 0.46
KDR P35968 3/20 0.44
LCK P06239 2/20 0.44
SRC P12931 2/20 0.44
MAPK14 Q16539 1/20 0.44
EGFR P00533 3/20 0.43
ERBB2 P04626 1/20 0.43
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
PLK2 Q9NYY3 1/20 0.42
AXL P30530 2/20 0.42
TLR7 Q9NYK1 1/20 0.42
FLT3 P36888 1/20 0.41

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
SCHEMBL5689081 0.92 CSF1R (0.50) CSF1RBTKJAK3KDRLCK
SCHEMBL4496506 0.89 SRC (0.53) CSF1RBTKJAK3KDRLCK
SCHEMBL5686150 0.83 LCK (0.49) CSF1RBTKJAK3KDRLCK
SCHEMBL4496398 0.83 TNK2 (0.54) CSF1RBTKJAK3KDRLCK
SCHEMBL5686180 0.81 JAK3 (0.55) BTKJAK3KDRLCKSRC
SCHEMBL5686178 0.81 CSF1R (0.52) CSF1RBTKJAK3KDRLCK
SCHEMBL5689288 0.79 CSF1R (0.48) CSF1RBTKJAK3KDRLCK
SCHEMBL5686341 0.79 LCK (0.48) CSF1RBTKJAK3KDRLCK
SCHEMBL4507920 0.76 AXL (0.49) CSF1RBTKKDRLCKSRC
SCHEMBL4497850 0.76 JAK3 (0.48) CSF1RBTKJAK3KDRLCK

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