SCHEMBL5764555

SCHEMBL5764555

Fc1cccc(-c2[nH]cc(C3=CC4CC(c5ccccc5)CN4CC3)c2-c2ccccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
SCD5 Q86SK9 1/20 0.34
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
GRM5 P41594 2/20 0.33
LRRK2 Q5S007 3/20 0.32
DCTPP1 Q9H773 1/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
GPR39 O43194 1/20 0.31
STK4 Q13043 1/20 0.31

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
SCHEMBL6391898 0.90 MAPK11 (0.36) MAPK11MAPK14PIM1GRM5LRRK2
SCHEMBL5763781 0.89 MAPK14 (0.54) MAPK11MAPK14CDC7ROCK2MAP4K4
SCHEMBL5764936 0.89 MAPK11 (0.42) MAPK11MAPK14SCD5CDC7ROCK2
SCHEMBL6396970 0.81 MAPK11 (0.39) MAPK11MAPK14GRM5LRRK2DCTPP1
SCHEMBL5763168 0.79 MAPK14 (0.49) MAPK11MAPK14GSK3BLRRK2STK4
SCHEMBL6223108 0.79 MAPK14 (0.49) MAPK11MAPK14GSK3BLRRK2STK4
SCHEMBL6220074 0.79 MAPK11 (0.56) MAPK11MAPK14SCD5PIM1PRKACA
SCHEMBL6218157 0.79 MAPK14 (0.67) MAPK11MAPK14
SCHEMBL5764416 0.79 MAPK14 (0.67) MAPK11MAPK14
SCHEMBL5763394 0.79 MAPK14 (0.67) MAPK11MAPK14

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-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP claimed