SCHEMBL17746005

SCHEMBL17746005

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(=O)N[C@H](CNC(=O)O)c3ccccc3)nn1C)CCC2

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 7/20 0.86
PIM1 P11309 1/20 0.86
PIM2 Q9P1W9 1/20 0.86
AURKA O14965 1/20 0.66
PLK1 P53350 1/20 0.66
IGF1R P08069 13/20 0.61
EIF2AK3 Q9NZJ5 1/20 0.59
CSNK2A2 P19784 1/20 0.58
CSNK2B P67870 1/20 0.58
CSNK2A1 P68400 1/20 0.58
MELK Q14680 1/20 0.58
CSNK2A3 Q8NEV1 1/20 0.58
NEK6 Q9HC98 1/20 0.58

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
SCHEMBL12698326 0.93 TTK (0.81) TTKPIM1PIM2AURKAPLK1
SCHEMBL12698376 0.93 TTK (1.00) TTKPIM1PIM2AURKAPLK1
Hydrochloric Acid SCHEMBL15377265 0.92 TTK (0.99) TTKPIM1PIM2AURKAPLK1
SCHEMBL17746009 0.92 TTK (0.74) TTKPIM1PIM2AURKAPLK1
SCHEMBL15377866 0.89 TTK (0.82) TTKPIM1PIM2AURKAPLK1
SCHEMBL17746010 0.87 TTK (0.68) TTKPIM1PIM2AURKAPLK1
SCHEMBL12499331 0.86 TTK (0.79) TTKPIM1PIM2AURKAPLK1
SCHEMBL12698406 0.84 TTK (0.79) TTKPIM1PIM2AURKAPLK1
SCHEMBL12698458 0.83 TTK (1.00) TTKPIM1PIM2AURKAPLK1
SCHEMBL1889494 0.82 TTK (0.79) TTKPIM1PIM2AURKAPLK1

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-2668188-B1 TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-05-18 EP disclosed