SCHEMBL17396396

SCHEMBL17396396

COc1cc(N2CCC(CC(=O)O)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(=O)N(C)C2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.57
TTK P33981 5/20 0.57
EGFR P00533 11/20 0.55
PLK4 O00444 1/20 0.52
GAK O14976 1/20 0.52
STK33 Q9BYT3 1/20 0.52
PLK3 Q9H4B4 1/20 0.52
BRD4 O60885 1/20 0.52
BRDT Q58F21 1/20 0.52
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
CDK6 Q00534 1/20 0.50
DCLK1 O15075 1/20 0.49
MAPK7 Q13164 1/20 0.49
LRRK2 Q5S007 1/20 0.49

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
SCHEMBL17396381 0.94 TTK (0.57) PLK1TTKEGFRPLK4GAK
SCHEMBL17396509 0.92 TTK (0.55) PLK1TTKEGFRPLK4GAK
SCHEMBL17396404 0.90 TTK (0.70) PLK1TTKEGFRPLK4GAK
SCHEMBL17396401 0.86 TTK (0.59) PLK1TTKEGFRBRD4BRDT
SCHEMBL17396415 0.85 TTK (0.56) PLK1TTKEGFRDCLK1MAPK7
SCHEMBL17396371 0.83 TTK (0.61) PLK1TTKEGFRPLK4GAK
SCHEMBL17396590 0.83 EGFR (0.57) PLK1TTKEGFRDCLK1MAPK7
SCHEMBL17396589 0.81 TTK (0.65) PLK1TTKEGFRPLK4GAK
SCHEMBL17396494 0.81 TTK (0.59) PLK1TTKEGFRPLK4GAK
SCHEMBL17396384 0.80 BRD4 (0.62) PLK1EGFRBRD4BRDTDCLK1

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-2016001077-A1 COMPOUNDS INHIBITING THE ENZYME MONOPOLAR SPINDLE 1 KINASE,PHARMACEUTICAL COMPOSITIONS AND USES THEREOF IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2016-01-07 WO disclosed