SCHEMBL13846148

SCHEMBL13846148

COc1cc(C(=O)NC[C@H]2CCCNC2)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.59
ROCK2 O75116 2/20 0.56
PKN2 Q16513 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
SUV39H2 Q9H5I1 2/20 0.50
SMYD3 Q9H7B4 2/20 0.48
MAPK1 P28482 1/20 0.48
OPRK1 P41145 1/20 0.48
CHEK2 O96017 2/20 0.46
MET P08581 2/20 0.46
MAPK14 Q16539 1/20 0.45
CHEK1 O14757 2/20 0.45
PBK Q96KB5 1/20 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
SCHEMBL13846145 1.00 HTR4 (0.59) HTR4ROCK2PKN2TDP1SUV39H2
SCHEMBL13846092 0.93 HTR4 (0.61) HTR4ROCK2PKN2TDP1SUV39H2
SCHEMBL13575608 0.93 HTR4 (0.61) HTR4ROCK2PKN2TDP1SUV39H2
SCHEMBL13846100 0.93 HTR4 (0.61) HTR4ROCK2PKN2TDP1SUV39H2
SCHEMBL13175546 0.88 HTR4 (0.69) HTR4TDP1MAPK14
SCHEMBL13175812 0.88 HTR4 (0.69) HTR4ROCK2TDP1MAPK14
SCHEMBL13175544 0.87 TDP1 (0.69) HTR4TDP1MAPK14
SCHEMBL13846080 0.86 HTR4 (0.67) HTR4ROCK2TDP1SUV39H2SMYD3
SCHEMBL4802575 0.86 HTR4 (0.72) HTR4ROCK2TDP1MAPK14
SCHEMBL13845990 0.83 HTR4 (0.57) HTR4ROCK2TDP1SUV39H2OPRK1

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-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 WO disclosed