SCHEMBL5771593

SCHEMBL5771593

CC(C)S(=O)(=O)n1c(NC2CCC(O)CC2)nc2ccc(C=N)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.37
PDE7A Q13946 1/20 0.37
MAPK8 P45983 8/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MAST3 O60307 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
MAPK14 Q16539 5/20 0.33
CYP3A4 P08684 3/20 0.33
ITK Q08881 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL5772303 1.00 PDE4B (0.37) PDE4BPDE7AMAPK8MAPK9MAPK10
SCHEMBL5768603 0.89 FGFR2 (0.32) PI4KBMAPK14CYP3A4
SCHEMBL5771480 0.82 SSTR5 (0.47)
SCHEMBL5774393 0.81 MAPK14 (0.38) PI4KBMAPK14CYP3A4
SCHEMBL6498820 0.81 KDM4E (0.35) PDE4BPDE7API4KBMAPK14
SCHEMBL5774648 0.80 SYK (0.33) PI4KBMAPK14CYP3A4
SCHEMBL5767550 0.80 MAPK14 (0.38) PI4KBMAPK14CYP3A4
SCHEMBL5769574 0.80 PI4KB (0.36) PI4KBMAPK14CYP3A4
SCHEMBL5773665 0.73 PI4KB (0.54) MAPK8MAPK9PI4KBMAPK14CYP3A4
SCHEMBL5774512 0.73 ALDH1A1 (0.40) PI4KBMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed