SCHEMBL5336433

SCHEMBL5336433

Nc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.51
EGFR P00533 2/20 0.51
SIRT7 Q9NRC8 1/20 0.51
MAPKAPK2 P49137 1/20 0.50
ROCK2 O75116 5/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
ROCK1 Q13464 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
IMPDH2 P12268 2/20 0.47
ERBB2 P04626 1/20 0.45
TNIK Q9UKE5 1/20 0.44
FLT1 P17948 1/20 0.44

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
SCHEMBL5333205 0.88 IMPDH2 (0.53) MKNK1EGFRMAPKAPK2ROCK2ROCK1
SCHEMBL5333863 0.88 VCP (0.58) MKNK1MAPKAPK2ROCK2ROCK1IMPDH2
SCHEMBL5335613 0.88 CDC7 (0.58) MKNK1MAPKAPK2ROCK2RAB9AROCK1
SCHEMBL5336680 0.88 IMPDH2 (0.59) EGFRROCK1IMPDH2FLT1FLT4
SCHEMBL5316809 0.88 NOS1 (0.48) MKNK1EGFRSIRT7MAPKAPK2ROCK2
SCHEMBL5343891 0.88 VCP (0.58) MKNK1SIRT7MAPKAPK2ROCK2ROCK1
SCHEMBL14465941 0.88 IMPDH2 (0.61) EGFRROCK1IMPDH2FLT1FLT4
SCHEMBL14466075 0.85 ROCK2 (0.62) MKNK1EGFRSIRT7MAPKAPK2ROCK2
SCHEMBL5317043 0.85 IMPDH2 (0.45) MKNK1SIRT7MAPKAPK2ROCK2ROCK1
SCHEMBL5336169 0.85 MEN1 (0.51) MKNK1MAPKAPK2ROCK2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO claimed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed