SCHEMBL7464576

SCHEMBL7464576

Nc1[nH]nc(-c2ccc(F)cc2F)c1C(=O)c1cccc(I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
ALPL P05186 3/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MAP2K4 P45985 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
MAPK14 Q16539 4/20 0.35
MAPK11 Q15759 2/20 0.35
PRKD3 O94806 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPK10 P53779 1/20 0.35
ROCK1 Q13464 1/20 0.35
ACVR2B Q13705 1/20 0.35
MYLK Q15746 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
NLK Q9UBE8 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ALK Q9UM73 1/20 0.35

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
SCHEMBL7474793 0.86 ALOX15 (0.44) ALOX15ALPLHSD17B1HSD17B2MAP2K4
SCHEMBL7474871 0.85 MAP2K4 (0.39) ALOX15ALPLMAP2K4HDAC1F2
SCHEMBL7480688 0.84 ALOX15 (0.43) ALOX15ALPLHSD17B1HSD17B2MAP2K4
SCHEMBL7473891 0.83 MAPK14 (0.52) ALOX15ALPLHSD17B1HSD17B2MAP2K4
SCHEMBL7479297 0.81 MAPK14 (0.54) ALOX15MAP2K4MAPK14KCNH2HDAC1
Hydrochloric Acid SCHEMBL7483144 0.80 MAPK14 (0.53) ALOX15MAP2K4MAPK14KCNH2HDAC1
SCHEMBL7478102 0.80 ALOX15 (0.40) ALOX15ALPLHSD17B1HSD17B2MAP2K4
SCHEMBL7469089 0.80 ALOX15 (0.47) ALOX15ALPLMAP2K4MAPKAPK2F2
SCHEMBL1385137 0.79 ALOX15 (0.39) ALOX15ALPLHSD17B1HSD17B2MAP2K4
SCHEMBL7472050 0.79 EPHA4 (0.38) ALOX15MAP2K4MAPK14TTRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 EP disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 WO disclosed
EP-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 EP disclosed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 WO disclosed