SCHEMBL8070542

SCHEMBL8070542

CCNC(=O)Nc1ccc(Oc2ccc(OC)c(-c3cccc(N)c3)c2F)cn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.45
MAPK1 P28482 5/20 0.43
PIK3CA P42336 3/20 0.43
MAPK8 P45983 3/20 0.43
MAPK9 P45984 3/20 0.43
MAPK10 P53779 3/20 0.43
AURKB Q96GD4 2/20 0.42
YES1 P07947 1/20 0.42
HIPK1 Q86Z02 1/20 0.42
ABL1 P00519 2/20 0.42
PIM1 P11309 1/20 0.42

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
SCHEMBL3785940 0.87 MET (0.43) METMAPK1PIK3CAMAPK8MAPK9
SCHEMBL7913183 0.84 MAPK1 (0.41) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL3466353 0.80 MAPK1 (0.42) METMAPK1PIK3CAMAPK8MAPK9
SCHEMBL7915416 0.80 ADORA2A (0.39) ABL1
SCHEMBL7913034 0.75 MAPK1 (0.42) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL8031130 0.74 MAPK1 (0.42) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL8055903 0.72 MAPK1 (0.44) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL13578431 0.72 MAPK1 (0.40) MAPK1PIK3CAMAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL3792884 0.72 MAPK1 (0.43) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL8069438 0.70 CLK4 (0.44) MAPK1

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed