SCHEMBL5337749

SCHEMBL5337749

C1=CCCC(C2=COC(c3cnc(Nc4ccc5[nH]ncc5c4)o3)=CO2)=C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.37
MAPKAPK2 P49137 1/20 0.36
ROCK2 O75116 8/20 0.36
ROCK1 Q13464 5/20 0.36
CDC7 O00311 2/20 0.36
TNIK Q9UKE5 1/20 0.34
SYK P43405 1/20 0.34
KDR P35968 2/20 0.34
EGFR P00533 1/20 0.34
PIK3CA P42336 1/20 0.33

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
SCHEMBL5339251 0.89 MKNK1 (0.38) MKNK1MAPKAPK2ROCK2ROCK1CDC7
SCHEMBL5336415 0.71 SYK (0.35) MAPKAPK2SYK
SCHEMBL14465941 0.71 IMPDH2 (0.61) ROCK1KDREGFRPIK3CA
SCHEMBL5332616 0.70 MAPKAPK2 (0.45) MKNK1MAPKAPK2ROCK2ROCK1CDC7
SCHEMBL5336462 0.69 ROCK2 (0.43) MKNK1MAPKAPK2ROCK2ROCK1CDC7
SCHEMBL5337978 0.69 ROCK2 (0.43) MKNK1MAPKAPK2ROCK2ROCK1CDC7
SCHEMBL5336680 0.69 IMPDH2 (0.59) ROCK1KDREGFRPIK3CA
SCHEMBL5333205 0.69 IMPDH2 (0.53) MKNK1MAPKAPK2ROCK2ROCK1CDC7
SCHEMBL5336433 0.69 MKNK1 (0.51) MKNK1MAPKAPK2ROCK2ROCK1CDC7
SCHEMBL5335613 0.69 CDC7 (0.58) MKNK1MAPKAPK2ROCK2ROCK1CDC7

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