SCHEMBL4070901

SCHEMBL4070901

Cc1ccc(C(=O)NCC2CC2)cc1-c1nc(NCC(O)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.42
CYP2C9 P11712 2/20 0.39
HSPB1 P04792 1/20 0.39
MAPK11 Q15759 1/20 0.39
EPHA3 P29320 1/20 0.38
FRK P42685 1/20 0.38

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
SCHEMBL4074439 0.90 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL2719973 0.89 MAPK14 (0.44) MAPK14CYP2C9HSPB1MAPK11EPHA3
SCHEMBL10226946 0.88 MAPK14 (0.42) MAPK14CYP2C9HSPB1MAPK11EPHA3
Trifluoroacetic Acid SCHEMBL2722016 0.87 MAPK14 (0.41) MAPK14CYP2C9HSPB1MAPK11EPHA3
SCHEMBL2731413 0.84 MAPK14 (0.43) MAPK14CYP2C9HSPB1MAPK11
SCHEMBL10227414 0.84 MAPK14 (0.39) MAPK14CYP2C9HSPB1MAPK11EPHA3
SCHEMBL2719290 0.84 MAPK14 (0.44) MAPK14CYP2C9HSPB1MAPK11EPHA3
SCHEMBL2718570 0.84 MCHR1 (0.42) MAPK14CYP2C9HSPB1MAPK11
SCHEMBL2720144 0.83 MAPK14 (0.44) MAPK14CYP2C9HSPB1MAPK11EPHA3
SCHEMBL2722018 0.83 MAPK14 (0.38) MAPK14CYP2C9HSPB1MAPK11EPHA3

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-2034838-A2 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-03-18 EP claimed
WO-2007147103-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO claimed