SCHEMBL8339586

SCHEMBL8339586

CC(C)CCOc1cccc2c1C(=O)c1cccc3[nH]nc-2c13

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.53
MAPT P10636 2/20 0.53
MAPK8 P45983 2/20 0.53
MAPK9 P45984 2/20 0.53
MAPK10 P53779 2/20 0.53
CDK5 Q00535 2/20 0.53
ROCK1 Q13464 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
CDK2 P24941 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
CDC7 O00311 1/20 0.53
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
IKBKB O14920 1/20 0.53
RGS12 O14924 1/20 0.53
AURKA O14965 1/20 0.53
GAK O14976 1/20 0.53
NPC1 O15118 1/20 0.53
PDPK1 O15530 1/20 0.53

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
SCHEMBL14277268 0.86 TTK (0.52) TTKMAPTMAPK8MAPK9MAPK10
SCHEMBL8336736 0.86 CYP1A2 (0.52) TTKMAPTMAPK8MAPK9MAPK10
SCHEMBL8338539 0.85 MAPT (0.48) TTKMAPTMAPK8MAPK9MAPK10
SCHEMBL8340232 0.84 KDR (0.50) TTKMAPTMAPK8MAPK9MAPK10
SCHEMBL8172258 0.79 MAPK8 (0.56) TTKMAPTMAPK8MAPK9MAPK10
SCHEMBL8338946 0.77 TTK (0.50) TTKMAPTMAPK8MAPK9MAPK10
SCHEMBL8339083 0.75 SGMS2 (0.48) TTKMAPTMAPK8MAPK9MAPK10
SCHEMBL8336855 0.73 CDK2 (0.65) TTKMAPTMAPK8MAPK9MAPK10
SCHEMBL5251497 0.73 ALDH1A1 (0.48) TTKMAPTMAPK8MAPK9MAPK10
SCHEMBL8342440 0.72 MAPT (0.49) TTKMAPTMAPK8MAPK9MAPK10

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
US-7335676-B2 Methods for treating inflammatory conditions or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
US-7335676-B2 Methods for treating inflammatory conditions or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
WO-2004084891-A1 METHODS FOR TREATING INFLAMMATORY CONDITIONS OR INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed