SCHEMBL527318

SCHEMBL527318

CCc1cccc(NC(=O)c2onc3c2CCc2cnc(Nc4ccc(N5CCN(C)CC5)cc4OC(F)(F)F)nc2-3)c1CC

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 13/20 0.68
PLK1 P53350 7/20 0.53
NEK6 Q9HC98 2/20 0.53
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
MELK Q14680 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
FLT3 P36888 2/20 0.53
PLK3 Q9H4B4 1/20 0.53
PLK2 Q9NYY3 1/20 0.53

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
SCHEMBL525981 0.93 TTK (0.79) TTKPLK1NEK6CSNK2A2CSNK2B
SCHEMBL10092916 0.85 PLK1 (0.68) TTKPLK1NEK6CSNK2A2CSNK2B
SCHEMBL10092918 0.85 PLK1 (0.67) TTKPLK1NEK6CSNK2A2CSNK2B
SCHEMBL525530 0.85 TTK (0.92) TTKPLK1PLK3PLK2
SCHEMBL526178 0.85 PLK1 (0.59) TTKPLK1NEK6CSNK2A2CSNK2B
SCHEMBL526126 0.84 TTK (0.79) TTKPLK1NEK6CSNK2A2CSNK2B
SCHEMBL1559108 0.82 TTK (0.85) TTKPLK1NEK6CSNK2A2CSNK2B
SCHEMBL12698424 0.81 TTK (1.00) TTKPLK1PLK3PLK2
SCHEMBL526085 0.80 TTK (0.82) TTKPLK1PLK3PLK2
SCHEMBL10092911 0.78 PLK1 (0.67) TTKPLK1NEK6CSNK2A2CSNK2B

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
EP-2598508-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY Nerviano Medical Sciences S.r.l. (IT) 2013-06-05 EP disclosed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 WO disclosed