SCHEMBL6473452

SCHEMBL6473452

Cc1cc(NCc2ccc(F)cc2F)c(Cc2cccc(C#N)c2)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.45
MAPK14 Q16539 4/20 0.42
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
KDM4E B2RXH2 2/20 0.38
IDH1 O75874 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
NR3C1 P04150 1/20 0.37
CLPP Q16740 1/20 0.37
BRD4 O60885 1/20 0.36
KCNK3 O14649 1/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
PARP1 P09874 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34

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
SCHEMBL6473831 0.81 VNN1 (0.43) VNN1MAPK14GRIN1GRIN2BKDM4E
SCHEMBL6471834 0.74 NTRK1 (0.38) VNN1MAPK14BRD4
SCHEMBL25782971 0.73 NTRK1 (0.40) MAPK14IDH1
SCHEMBL4387481 0.72 MAPK14 (0.59) VNN1MAPK14GRIN1GRIN2BKDM4E
SCHEMBL29594334 0.72 MAPK14 (0.59) VNN1MAPK14GRIN1GRIN2BKDM4E
SCHEMBL6471709 0.72 MAPK14 (0.56) MAPK14KDM4EPARP1PARP3
SCHEMBL4379238 0.70 MAPK14 (0.57) VNN1MAPK14GRIN1GRIN2BKDM4E
SCHEMBL6471265 0.70 MAPK14 (0.40) VNN1MAPK14KDM4EIDH1
SCHEMBL3522226 0.67 MAPK14 (0.51) VNN1MAPK14GRIN1GRIN2BKDM4E
SCHEMBL4380849 0.64 MAPK14 (0.58) VNN1MAPK14KDM4EBRD4

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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed