SCHEMBL4256906

SCHEMBL4256906

CCn1cnc2c(=O)nc(Oc3ccc(F)cc3F)n(-c3ccc(F)cc3)c21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
MET P08581 10/20 0.38
AXL P30530 8/20 0.38
TRPA1 O75762 3/20 0.35
CYP2C19 P33261 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL4260069 0.88 AXL (0.36) METAXL
SCHEMBL4261938 0.87 BRD4 (0.40) BRD4METTRPA1NPBWR1MCHR1
SCHEMBL2234815 0.85 BRD4 (0.42) BRD4METAXLNPBWR1MCHR1
SCHEMBL11920297 0.80 BRD4 (0.40) BRD4METAXLNPBWR1MCHR1
SCHEMBL4258224 0.80 MET (0.36) BRD4METAXLNPBWR1MCHR1
SCHEMBL2235855 0.78 HTT (0.39) BRD4METAXL
SCHEMBL2235271 0.78 MAT2A (0.43) BRD4METAXLNPBWR1MCHR1
SCHEMBL4768907 0.78 SMN1; SMN2 (0.34) CYP2C19
SCHEMBL2233232 0.77 HTT (0.37) BRD4METAXL
SCHEMBL4357095 0.76 MAT2A (0.38) CYP2C19

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-2061794-A2 2-PHENOXY PYRIMIDINONE ANALOGUES Neurogen Corporation (US) 2009-05-27 EP claimed
WO-2008024438-A2 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2008-02-28 WO claimed