SCHEMBL17396393

SCHEMBL17396393

COc1cc(N2CCOCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(=O)NC2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.58
LRRK2 Q5S007 4/20 0.55
DCLK1 O15075 3/20 0.55
MAPK7 Q13164 3/20 0.55
INSR P06213 4/20 0.54
ALK Q9UM73 4/20 0.54
PLK1 P53350 2/20 0.53
TNK2 Q07912 1/20 0.53
EGFR P00533 3/20 0.51
ZAP70 P43403 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
SCHEMBL17396462 0.91 TTK (0.65) TTKLRRK2DCLK1MAPK7INSR
SCHEMBL17396401 0.87 TTK (0.59) TTKLRRK2DCLK1MAPK7INSR
SCHEMBL17396399 0.86 TTK (0.56) TTKLRRK2DCLK1MAPK7INSR
SCHEMBL17396530 0.86 CDK4 (0.55)
SCHEMBL17396590 0.83 EGFR (0.57) TTKLRRK2DCLK1MAPK7INSR
SCHEMBL17396415 0.82 TTK (0.56) TTKLRRK2DCLK1MAPK7INSR
SCHEMBL24496118 0.80 MAPK7 (0.68) LRRK2DCLK1MAPK7TNK2EGFR
SCHEMBL27196830 0.79 MAPK7 (0.59) LRRK2DCLK1MAPK7TNK2EGFR
SCHEMBL17396455 0.79 CDK4 (0.61) INSRALKEGFR
SCHEMBL17396591 0.78 LRRK2 (0.58) TTKLRRK2DCLK1MAPK7INSR

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