SCHEMBL13618609

SCHEMBL13618609

C=C1NCc2ccc(-c3cccc(C)c3)cc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.73
DYRK1B Q9Y463 2/20 0.73
FYN P06241 1/20 0.73
NTRK2 Q16620 2/20 0.50
TYRO3 Q06418 1/20 0.50
PARP10 Q53GL7 2/20 0.47
PARP11 Q9NR21 1/20 0.47
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
MET P08581 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3B P49841 1/20 0.42
MAP2K1 Q02750 1/20 0.42
MST1R Q04912 1/20 0.42
NTRK3 Q16288 1/20 0.42
CAMK1D Q8IU85 1/20 0.42

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 0.84 CLK4 (1.00) CLK4DYRK1BFYNNTRK2TYRO3
SCHEMBL13090790 0.81 PARP10 (0.49) CLK4DYRK1BFYNNTRK2TYRO3
SCHEMBL19187255 0.72 CLK4 (0.44) CLK4DYRK1BFYNNTRK2TYRO3
SCHEMBL13680532 0.72 CLK4 (0.78) CLK4DYRK1BFYNNTRK2TYRO3
SCHEMBL22663970 0.72 CLK4 (0.50) CLK4DYRK1BFYNNTRK2TYRO3
SCHEMBL1906959 0.71 PARP10 (0.55) CLK4DYRK1BFYNPARP10PARP11
SCHEMBL24756436 0.71 METAP1 (0.46) CLK4DYRK1BFYNPARP10PARP11
SCHEMBL26032544 0.70 CLK4 (0.55) CLK4DYRK1BFYNNTRK2TYRO3
SCHEMBL29985572 0.69 CLK4 (0.74) CLK4DYRK1BFYNNTRK2TYRO3
SCHEMBL19187116 0.69 CLK4 (0.74) CLK4DYRK1BFYNNTRK2TYRO3

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
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed