SCHEMBL5316809

SCHEMBL5316809

Brc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.48
METAP2 P50579 1/20 0.48
CSNK2A1 P68400 1/20 0.48
IMPDH2 P12268 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MKNK1 Q9BUB5 3/20 0.46
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
PRKX P51817 1/20 0.45
PRKG2 Q13237 1/20 0.45
ROCK1 Q13464 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
SGK2 Q9HBY8 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
TNIK Q9UKE5 2/20 0.44
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 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
SCHEMBL5336680 0.88 IMPDH2 (0.59) IMPDH2ROCK1CLK4FLT1FLT4
SCHEMBL5335613 0.88 CDC7 (0.58) IMPDH2MKNK1ROCK2ROCK1MAPKAPK2
SCHEMBL5333863 0.88 VCP (0.58) IMPDH2MKNK1ROCK2ROCK1MAPKAPK2
SCHEMBL5343891 0.88 VCP (0.58) NOS1IMPDH2MKNK1ROCK2PRKACA
SCHEMBL5333205 0.88 IMPDH2 (0.53) IMPDH2MKNK1ROCK2ROCK1MAPKAPK2
SCHEMBL5336433 0.88 MKNK1 (0.51) IMPDH2MEN1KMT2AMKNK1ROCK2
SCHEMBL14465941 0.88 IMPDH2 (0.61) IMPDH2ROCK1CLK4FLT1FLT4
SCHEMBL5317043 0.85 IMPDH2 (0.45) IMPDH2MKNK1ROCK2ROCK1MAPKAPK2
SCHEMBL5374741 0.85 FLT1 (0.54) IMPDH2MEN1KMT2AMKNK1ROCK2
SCHEMBL14466977 0.85 TRPV1 (0.61) IMPDH2MEN1KMT2AMKNK1MAPKAPK2

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
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