SCHEMBL7144416

SCHEMBL7144416

CC(=O)OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.75
MAPK11 Q15759 7/20 0.46
MAP4K4 O95819 1/20 0.46
FAAH O00519 2/20 0.40
MAPK13 O15264 6/20 0.39
MAPK12 P53778 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GCGR P47871 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
SCHEMBL5997822 0.91 MAPK14 (0.74) MAPK14MAPK11MAP4K4FAAHMAPK13
SCHEMBL1127770 0.89 MAPK14 (0.71) MAPK14MAPK11MAP4K4FAAHMAPK13
SCHEMBL5998654 0.87 MAPK14 (0.87) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL13035057 0.86 MAPK14 (0.82) MAPK14MAPK11MAP4K4MAPK13MAPK12
Rwj-67657 SCHEMBL162010 0.86 MAPK14 (1.00) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL12856400 0.86 MAPK14 (1.00) MAPK14MAPK11MAP4K4MAPK13MAPK12
Rwj-67657 SCHEMBL5815060 0.85 MAPK14 (0.98) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL5999009 0.85 MAPK14 (0.91) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL7145536 0.84 MAPK14 (0.89) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL7141213 0.84 MAPK14 (0.82) MAPK14MAPK11MAP4K4MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028954-B1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO MCNEIL PHARM INC (US) 2003-07-02 EP claimed
EP-1028954-A1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2000-08-23 EP claimed
WO-1998047892-A1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL CORPORATION, INC. (US) 1998-10-29 WO claimed