SCHEMBL5337978

SCHEMBL5337978

c1cc2[nH]ncc2cc1Nc1ncc(-c2ccc3c(c2)CCCC3)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.43
ROCK1 Q13464 5/20 0.43
MKNK1 Q9BUB5 2/20 0.41
IMPDH2 P12268 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
TNIK Q9UKE5 2/20 0.40
CDC7 O00311 2/20 0.40
PIK3CA P42336 2/20 0.39
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
LCK P06239 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL5336462 0.98 ROCK2 (0.43) ROCK2ROCK1MKNK1IMPDH2MAPKAPK2
SCHEMBL5334521 0.85 SYK (0.46) ROCK2ROCK1MKNK1IMPDH2MAPKAPK2
SCHEMBL5340647 0.81 KDR (0.54) ROCK2ROCK1MKNK1IMPDH2MAPKAPK2
SCHEMBL5319685 0.81 IMPDH2 (0.54) ROCK2ROCK1MKNK1IMPDH2MAPKAPK2
SCHEMBL5339924 0.81 MKNK1 (0.57) ROCK2ROCK1MKNK1IMPDH2MAPKAPK2
SCHEMBL5333745 0.81 SYK (0.52) ROCK2ROCK1MKNK1IMPDH2MAPKAPK2
SCHEMBL5336680 0.81 IMPDH2 (0.59) ROCK1IMPDH2PIK3CAFLT1KDR
SCHEMBL5336433 0.81 MKNK1 (0.51) ROCK2ROCK1MKNK1IMPDH2MAPKAPK2
SCHEMBL5335613 0.81 CDC7 (0.58) ROCK2ROCK1MKNK1IMPDH2MAPKAPK2
SCHEMBL5333205 0.81 IMPDH2 (0.53) ROCK2ROCK1MKNK1IMPDH2MAPKAPK2

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