SCHEMBL7144420

SCHEMBL7144420

CC(=O)OCC#CCc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.58
FAAH O00519 5/20 0.40
MAPK13 O15264 5/20 0.39
MAPK12 P53778 5/20 0.39
MAPK11 Q15759 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GCGR P47871 1/20 0.38
MAPK10 P53779 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
SCHEMBL5997826 0.91 MAPK14 (0.57) MAPK14FAAHMAPK13MAPK12MAPK11
SCHEMBL4347807 0.86 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL1127850 0.84 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5998468 0.84 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7144416 0.82 MAPK14 (0.75) MAPK14FAAHMAPK13MAPK12MAPK11
SCHEMBL13670475 0.79 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5903491 0.78 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7162537 0.77 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8102854 0.77 MAPK14 (0.47) MAPK14FAAHMAPK13MAPK12MAPK11
SCHEMBL7139249 0.76 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR

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