SCHEMBL2175786

SCHEMBL2175786

N#Cc1ccnc(CNC(=O)c2n[nH]c3c2COc2ccccc2-3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
GLA P06280 6/20 0.38
PIM1 P11309 3/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK10 P53779 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 4/20 0.37
ATM Q13315 3/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
CHEK1 O14757 2/20 0.37
ROCK2 O75116 2/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2172365 0.78 HCRTR2 (0.40) KDM4EGLAPIM1RUNX1CBFB
SCHEMBL2171311 0.75 ALDH1A1 (0.45) KDM4EGLAHSD17B10ALDH1A1ROCK2
SCHEMBL2548371 0.73 ALDH1A1 (0.48) KDM4EPIM1HSD17B10ALDH1A1MAPK1
SCHEMBL2175753 0.71 MAPT (0.47) KDM4EHSD17B10ALDH1A1GAAROCK2
SCHEMBL2171482 0.70 KDM4E (0.59) KDM4EGLAPIM1RUNX1CBFB
SCHEMBL2175482 0.70 ROCK2 (0.49) ALDH1A1MAPK1GAAROCK2POLB
SCHEMBL30290797 0.69 KDM4E (0.51) KDM4EGLAPIM1RUNX1CBFB
SCHEMBL2173401 0.68 MEN1 (0.54) KDM4EHSD17B10ALDH1A1ROCK2MAPT
SCHEMBL16517596 0.66 VNN1 (0.41) KDM4EALDH1A1MAPK1ADORA2AADORA1
SCHEMBL2175776 0.66 NPC1 (0.48) KDM4EHSD17B10MAPK10ALDH1A1GAA

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-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 EP disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO disclosed