SCHEMBL6583283

SCHEMBL6583283

O=c1[nH]c(-c2ccncc2)c(-c2ccc(F)cc2)n1CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
MAPK13 O15264 6/20 0.51
MAPK12 P53778 6/20 0.51
MAPK11 Q15759 6/20 0.51
GCGR P47871 3/20 0.51
RIPK3 Q9Y572 5/20 0.44
ALOX5 P09917 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
SCHEMBL5858727 1.00 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6590838 0.89 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5095878 0.79 RIPK3 (0.57) MAPK14GCGRRIPK3
SCHEMBL1127766 0.77 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6587012 0.77 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5091878 0.75 TDP1 (0.53) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5858720 0.75 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7139249 0.75 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6581107 0.75 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6509449 0.73 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RIPK3

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-1392678-A2 PROCESS FOR THE PREPARATION OF TETRASUBSTITUTED IMIDAZOLE DERIVATIVES AND NOVEL CRYSTALLINE STRUCTURES THEREOF Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-03-03 EP disclosed
WO-2002076974-A2 PROCESS FOR THE PREPARATION OF TETRASUBSTITUTED IMIDAZOLE DERIVATIVES AND NOVEL CRYSTALLINE STRUCTURES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-10-03 WO disclosed