SCHEMBL28025875

SCHEMBL28025875

COc1nc(C[SH](=O)=O)nc(Nc2ccc3[nH]ncc3c2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.58
RET P07949 1/20 0.47
ROCK1 Q13464 3/20 0.45
IGF1R P08069 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
PRKG1 Q13976 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
EGFR P00533 2/20 0.43
TNIK Q9UKE5 1/20 0.43
MAOB P27338 2/20 0.42
HSF1 Q00613 1/20 0.42
KDR P35968 1/20 0.42
ERBB2 P04626 1/20 0.42
SYK P43405 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL16637689 0.80 ROCK2 (0.59) ROCK2RETROCK1IGF1RGSK3A
SCHEMBL16637787 0.79 ROCK2 (0.61) ROCK2RETROCK1IGF1RGSK3A
SCHEMBL16638040 0.73 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL16637786 0.70 ROCK2 (0.50) ROCK2RETROCK1IGF1RGSK3A
SCHEMBL15639979 0.66 RET (0.60) ROCK2RETROCK1IGF1RMKNK1
SCHEMBL6788501 0.65 HSF1 (0.71) ROCK2RETROCK1IGF1RGSK3A
SCHEMBL27979030 0.65 MAPK1 (0.51) ROCK2ROCK1GSK3BCLK4RAB9A
SCHEMBL27596563 0.65 ROCK2 (0.58) ROCK2ROCK1PRKG1CLK4MKNK1
SCHEMBL6181034 0.64 RET (1.00) RETMKNK1EGFRKDR
SCHEMBL13154702 0.64 RET (0.72) ROCK2RETROCK1IGF1RMKNK1

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
CN-104903312-A RHO KINASE INHIBITORS KADMON CORP LLC 2015-09-09 CN disclosed