SCHEMBL4456006

SCHEMBL4456006

Cc1nc(N2CCOCC2)ccc1-c1ccc(NC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
HIF1A Q16665 2/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK2A1 P68400 1/20 0.40
STK3 Q13188 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PIK3CA P42336 6/20 0.40
MTOR P42345 6/20 0.40
PIK3CG P48736 3/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL4464429 0.84 PIK3CA (0.52) KDM4EMEN1KMT2AUSP2HIF1A
SCHEMBL7189256 0.82 RAF1 (0.54) KDM4ECLK2GSK3AGSK3BCSNK2A1
SCHEMBL7067699 0.80 CNR1 (0.47) KDM4EMEN1KMT2AUSP2HIF1A
SCHEMBL6257285 0.80 MTOR (0.41) KDM4EMEN1KMT2AUSP2HIF1A
SCHEMBL7069390 0.80 EPHX2 (0.49) KDM4ECLK2GSK3AGSK3BCSNK2A1
SCHEMBL5462710 0.79 PIK3CA (0.40) KDM4EMEN1KMT2AUSP2HIF1A
SCHEMBL7064948 0.77 KDM4E (0.45) KDM4EMEN1KMT2AUSP2HIF1A
SCHEMBL4086943 0.76 MAPK14 (0.59) MAPK1HIF1APIK3CAMTORPIK3CG
SCHEMBL7070212 0.76 MAPK14 (0.49) MAPK1KDM4EMEN1KMT2AUSP2
SCHEMBL28747223 0.75 CLK2 (0.49) KDM4EMEN1KMT2AUSP2CLK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed