SCHEMBL13680532

SCHEMBL13680532

Cc1cccc(-c2ccc3c(c2)CNC3=O)c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.78
DYRK1B Q9Y463 2/20 0.78
FYN P06241 1/20 0.78
PARP10 Q53GL7 7/20 0.74
PARP11 Q9NR21 7/20 0.74
GSK3B P49841 2/20 0.62
DAPK3 O43293 1/20 0.62
NTRK1 P04629 1/20 0.62
PIM1 P11309 1/20 0.62
FLT3 P36888 1/20 0.62
ROCK1 Q13464 1/20 0.62
TYRO3 Q06418 1/20 0.54
NTRK2 Q16620 1/20 0.54
PRF1 P14222 4/20 0.53
TARS1 P26639 1/20 0.49
PGR P06401 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
GRM5 P41594 2/20 0.47

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
SCHEMBL8264116 0.88 CLK4 (1.00) CLK4DYRK1BFYNPARP10PARP11
SCHEMBL8156296 0.85 PARP10 (1.00) CLK4DYRK1BFYNPARP10PARP11
SCHEMBL8167297 0.83 CLK4 (0.75) CLK4DYRK1BFYNPARP10PARP11
SCHEMBL148819 0.81 PARP10 (0.68) CLK4DYRK1BFYNPARP10PARP11
M-Xylene SCHEMBL1782272 0.81 CLK4 (0.56) CLK4DYRK1BFYNPARP10PARP11
SCHEMBL10243599 0.81 PARP10 (0.74) CLK4DYRK1BFYNPARP10PARP11
M-Xylene SCHEMBL1785614 0.80 CLK4 (0.55) CLK4DYRK1BFYNPARP10PARP11
M-Xylene SCHEMBL1784159 0.80 CLK4 (0.55) CLK4DYRK1BFYNPARP10PARP11
Ethane SCHEMBL27832823 0.80 PARP10 (0.66) CLK4DYRK1BFYNPARP10PARP11
SCHEMBL2017969 0.79 PRF1 (0.64) CLK4DYRK1BFYNPARP10PARP11

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed